data_2jpu_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 2jpu _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 ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 9' ' ' VAL . 40.1 p . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.531 0.205 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' ILE . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.54 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB1' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.525 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.493 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.718 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.741 HD12 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' O ' HG22 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.741 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.411 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.576 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.703 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 87' ' ' TRP . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.772 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.772 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.406 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.461 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.745 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.886 0.374 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.745 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD23 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.565 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.436 HD22 HG23 ' A' ' 54' ' ' VAL . 17.1 t-20 -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 62' ' ' SER . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.588 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.522 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.7 0.286 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.537 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.873 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.873 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.67 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 HG23 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' OD1' ' A' ' 64' ' ' ASN . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.563 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.621 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.777 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.528 0.204 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.642 ' HG ' HD22 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 114' ' ' LEU . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 9' ' ' VAL . 37.5 p . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.39 0.138 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.677 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.753 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD13 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.753 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.43 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.477 ' O ' HG21 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 HD13 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.923 0.392 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' HG ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG21 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 40' ' ' LEU . 9.8 mp . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.699 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.435 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.544 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD12 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.414 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HD3' HD12 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' HG21 ' A' ' 9' ' ' VAL . 51.6 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.567 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.677 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.593 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.564 ' O ' HG21 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 ' HB2' HG11 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.465 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.519 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.661 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.661 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 66' ' ' PHE . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.55 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.521 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.488 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.512 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.519 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.74 HD12 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.413 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 7.1 t-80 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.485 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.5 ' O ' HG21 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.575 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.737 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.841 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.841 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.59 HD13 HG21 ' A' ' 42' ' ' VAL . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.532 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.862 0.363 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 HD23 ' A' ' 40' ' ' LEU . 1.9 m . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.687 ' HB3' ' HZ1' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.653 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.484 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 9' ' ' VAL . 72.8 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.525 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HE2' ' HZ1' ' A' ' 29' ' ' LYS . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HZ1' ' HE2' ' A' ' 17' ' ' PHE . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.651 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.898 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.898 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.745 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.449 ' O ' HG21 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.745 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.993 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 t30 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' HG12 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 HD21 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.582 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' PRO . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.553 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.511 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.553 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.577 ' HB2' HD12 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.604 ' O ' HG22 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.651 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.56 ' N ' HD13 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.402 ' O ' HG21 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.649 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.649 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.801 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.2 t-20 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.993 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.632 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.461 0.172 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.53 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.53 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.518 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.613 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.613 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.92 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.92 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.635 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' HD11 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.767 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 13.7 t30 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.767 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.403 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.466 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.839 HD13 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.839 ' HG ' HD13 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.534 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 2.2 t-20 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.711 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.711 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.818 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.731 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.953 HD22 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.547 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.738 0.304 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.953 ' HG ' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' HB1' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.575 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.522 ' HA ' HD13 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 119' ' ' VAL . 86.4 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 120.57 0.224 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG21 ' A' ' 42' ' ' VAL . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.636 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.471 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.489 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.546 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.482 ' O ' HG21 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.546 ' O ' HG21 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.898 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.898 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 119' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 p . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.537 0.208 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HB3' HG22 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.556 HG12 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB2' HG12 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.483 ' HB3' HG21 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.496 HD11 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 79' ' ' ILE . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.496 ' CZ2' HD11 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.425 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 9' ' ' VAL . 27.4 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.407 0.146 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.69 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.53 ' HB2' HG11 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.866 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.866 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.458 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.419 0.628 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 120.478 0.18 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.619 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' HB1' ' A' ' 118' ' ' ALA . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HZ3' ' CD ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.519 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.692 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' HG22 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HD23 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.686 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 37' ' ' ALA . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.657 HD12 HD22 ' A' ' 40' ' ' LEU . 7.8 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' ILE . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.521 ' HB2' HG11 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.64 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.579 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.579 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG11 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.477 ' HG3' HG11 ' A' ' 91' ' ' VAL . 43.1 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.411 0.148 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.853 HG22 HD21 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.842 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HB3' ' HZ3' ' A' ' 106' ' ' LYS . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.842 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.5 t-20 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.555 ' HE2' HG12 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CD ' ' HZ2' ' A' ' 32' ' ' LYS . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' HD11 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.532 ' HB2' HG11 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.698 ' HA ' HG23 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 64' ' ' ASN . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.428 ' HA ' HG12 ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.511 ' HA ' HD11 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.55 ' HB3' HG21 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 79' ' ' ILE . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.53 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.433 ' HB ' ' CD ' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.433 ' CD ' ' HB ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.863 HD23 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD13 HD23 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.432 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.832 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HD3' HD23 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HB2' HG23 ' A' ' 5' ' ' THR . 10.6 mp . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' HB3' HG23 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.542 ' O ' HG21 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD13 HG23 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.564 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 3.5 t30 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.497 HG23 HD13 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.417 ' C ' HD12 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.472 ' O ' HG21 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.405 ' O ' HG21 ' A' ' 119' ' ' VAL . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 115' ' ' VAL . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.404 HG21 ' H ' ' A' ' 6' ' ' SER . 6.6 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 30' ' ' TYR . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.802 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.802 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.579 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB2' HG12 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' CD ' ' HZ1' ' A' ' 67' ' ' LYS . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.773 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.773 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.665 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' HG23 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.636 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.553 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 121.091 0.472 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 HD23 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -79.22 -29.06 42.59 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 125' ' ' HIS . 21.5 pt -94.05 172.85 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.397 173.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m 68.43 60.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.985 0.803 . . . . 0.0 109.677 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 9' ' ' VAL . 40.1 p -70.32 175.33 4.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.832 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 38' ' ' ILE . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.54 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB1' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.525 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.493 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.718 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.741 HD12 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.01 26.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.22 -43.44 95.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.922 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 20.0 t80 62.72 25.42 15.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.111 0.482 . . . . 0.0 110.994 172.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 22.9 t-80 73.87 -47.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.165 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.26 83.73 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.126 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.5 92.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.152 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -111.77 56.3 0.65 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.102 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' O ' HG22 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.741 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.576 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.62 -35.42 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.73 11.08 7.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.166 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -95.87 99.83 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.952 0.406 . . . . 0.0 110.252 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.497 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 26.5 t-80 -178.95 -48.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.855 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -175.86 144.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -69.69 87.48 0.5 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 177.13 132.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.521 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.518 173.256 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.017 0.437 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -127.23 97.49 4.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.607 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.448 HD11 HG22 ' A' ' 9' ' ' VAL . 18.5 pt -87.64 169.08 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.203 0.525 . . . . 0.0 111.324 -175.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m -94.12 43.52 1.11 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.686 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p 71.12 168.45 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 111.875 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.703 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB3' ' CZ2' ' A' ' 87' ' ' TRP . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.772 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.772 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.461 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.745 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.2 mm-40 -91.74 39.95 1.02 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.748 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -158.85 39.78 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.491 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -96.84 -46.82 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.127 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.44 -86.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.4 tm-20 -135.12 79.56 1.79 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.408 0.623 . . . . 0.0 109.518 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.748 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.2 mm? -121.77 104.88 9.9 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.145 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -76.99 -8.09 56.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.745 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD23 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.565 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.66 -46.96 9.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 126' ' ' HIS . 38.5 mt-10 -87.44 49.79 1.88 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.656 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 3.11 13.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.049 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -75.5 -31.79 60.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 110.121 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 123' ' ' GLU . 47.8 p-80 -111.33 119.24 38.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.229 0.538 . . . . 0.0 109.702 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 129' ' ' HIS . 10.5 p80 -134.24 118.9 18.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -175.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.1 t60 71.83 -31.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.899 0.88 . . . . 0.0 111.298 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 127' ' ' HIS . 54.6 p-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.311 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 124' ' ' HIS . 56.8 m -130.45 88.3 2.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.819 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 pt -130.69 141.22 46.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 45.12 73.73 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.066 0.854 . . . . 0.0 111.296 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p -71.22 157.26 38.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.553 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.573 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD11 HD23 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.53 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.436 HD22 HG23 ' A' ' 54' ' ' VAL . 17.1 t-20 -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.476 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.627 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.456 ' HZ3' ' HB2' ' A' ' 62' ' ' SER . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 -93.71 37.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.83 78.31 0.76 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.471 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 92' ' ' GLU . 37.7 m-85 -82.26 35.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.419 0.287 . . . . 0.0 111.53 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 49.5 t60 67.98 97.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.716 0.635 . . . . 0.0 110.185 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER 72.3 131.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.9 -175.116 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.87 94.12 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.748 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -91.74 49.86 1.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.84 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.432 ' O ' HG21 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.588 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.522 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.58 -66.65 0.86 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.434 ' OE1' ' HB3' ' A' ' 126' ' ' HIS . 34.3 mm-40 43.05 57.47 3.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.311 -169.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 30.7 t-80 -84.92 76.84 10.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.417 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 83.3 t60 61.89 45.01 7.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.626 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.434 ' HB3' ' OE1' ' A' ' 123' ' ' GLU . 47.6 t-80 -95.48 -68.27 0.81 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -164.16 69.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -62.51 -58.31 8.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.211 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.683 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -91.63 -39.43 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.65 -177.77 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.544 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m 54.27 45.8 26.53 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.095 0.872 . . . . 0.0 110.848 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -66.26 159.91 25.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.797 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.537 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.873 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.873 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG23 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.67 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.784 HD12 HG23 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' OD1' ' A' ' 64' ' ' ASN . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.621 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.563 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.621 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.777 ' HZ2' ' HB3' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.642 HD22 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.18 -22.59 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.683 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -81.78 -123.88 0.7 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 171.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 68.4 t80 72.45 -53.14 0.7 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 111.605 174.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -90.4 58.13 3.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 66.09 27.8 10.45 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.333 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.683 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.7 mm? -83.26 97.83 9.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 109.867 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 24' ' ' VAL . 14.8 m -84.06 -16.52 43.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.806 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.642 ' HG ' HD22 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.463 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 114' ' ' LEU . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.488 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 124' ' ' HIS . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? -80.6 -45.28 17.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -88.43 45.4 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.33 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 121' ' ' SER . 4.1 t-80 -79.97 39.67 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.735 -174.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -84.75 44.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.209 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 56.26 89.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.025 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.536 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -73.05 -30.83 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 109.967 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.474 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.015 0.436 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -157.01 99.1 1.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.679 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 pt -113.9 172.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.428 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 m 59.84 79.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.947 0.779 . . . . 0.0 110.842 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.423 ' O ' HG21 ' A' ' 9' ' ' VAL . 37.5 p -70.23 175.62 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.011 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 94' ' ' PHE . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' O ' HD11 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.532 ' O ' HG22 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.753 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD13 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.753 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.43 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.477 ' O ' HG21 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 HD13 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -125.91 87.47 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.74 146.67 10.21 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 28' ' ' GLU . 29.5 m-85 70.84 -46.95 0.64 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.18 0.992 . . . . 0.0 111.164 -177.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -75.17 82.72 2.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.788 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 73.77 -48.67 0.67 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.619 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.7 91.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.602 . . . . 0.0 110.655 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m -97.7 -11.11 23.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' HG ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.456 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.441 ' O ' HG21 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.43 HD12 HD21 ' A' ' 40' ' ' LEU . 9.8 mp -85.28 -15.1 44.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.54 -21.8 64.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.646 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 73.13 131.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.399 1.062 . . . . 0.0 109.967 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 67.86 105.55 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.947 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.688 ' HB3' ' HD2' ' A' ' 128' ' ' HIS . 21.4 m-70 -70.19 111.32 5.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.521 0.676 . . . . 0.0 111.996 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -87.22 102.83 14.85 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.418 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.688 ' HD2' ' HB3' ' A' ' 126' ' ' HIS . 13.5 p80 -141.5 68.47 1.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 111.721 -176.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 m80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.045 175.132 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -74.61 -78.03 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -145.83 169.98 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -125.49 78.11 1.7 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.436 0.636 . . . . 0.0 110.323 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -90.4 156.15 18.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.699 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.699 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.48 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.435 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.544 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD12 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.96 11.79 32.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.34 71.18 2.72 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -77.56 19.46 0.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -170.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 71.33 -60.04 0.53 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.292 0.637 . . . . 0.0 111.071 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.5 -33.74 76.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 109.012 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.01 95.27 6.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.691 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -100.79 6.47 43.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.193 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.414 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HD3' HD12 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.34 -32.79 58.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -80.26 -7.13 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -96.32 121.46 38.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.51 -58.99 4.48 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.53 0.519 . . . . 0.0 112.399 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -115.72 134.06 55.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.114 0.483 . . . . 0.0 110.953 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -76.86 137.45 39.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.561 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -80.28 84.45 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.243 0.745 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.999 171.734 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' H3 ' ' CD ' ' A' ' 123' ' ' GLU . 16.0 tpt . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -148.62 17.54 1.02 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.5 pt -137.75 -179.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.1 m -138.03 92.42 2.66 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.533 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' O ' HG21 ' A' ' 9' ' ' VAL . 51.6 p -63.13 160.3 15.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.567 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.634 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.593 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.564 ' O ' HG21 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 ' HB2' HG11 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.465 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.519 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.661 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.661 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 66' ' ' PHE . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.55 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.521 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.488 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.55 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.512 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.519 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.74 HD12 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 7.1 t-80 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -103.88 27.93 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.11 -81.54 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.265 -0.969 . . . . 0.0 110.754 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.6 t80 59.22 15.8 4.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.296 0.638 . . . . 0.0 111.945 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 67.1 4.45 3.62 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -91.8 -43.63 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.534 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.18 90.77 5.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.372 0.606 . . . . 0.0 110.791 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -87.97 67.52 9.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.485 ' O ' HG21 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.74 ' HG ' HD12 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.5 ' O ' HG21 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.0 -1.98 34.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.509 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 12.9 mm-40 -80.14 7.19 9.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 0.0 111.487 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.468 ' O ' ' HB3' ' A' ' 125' ' ' HIS . 15.4 p80 -57.67 134.24 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.117 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 124' ' ' HIS . 32.5 t-80 75.29 -5.51 2.15 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 111.151 -178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 30.2 t-80 -109.15 -7.7 15.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.102 -0.373 . . . . 0.0 110.979 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 33.7 m-70 73.4 122.59 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.559 0.537 . . . . 0.0 111.07 -178.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -107.88 147.35 31.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.167 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.32 -0.847 . . . . 0.0 109.544 176.601 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.813 0.339 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -96.81 113.81 25.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.524 HD12 HD21 ' A' ' 122' ' ' LEU . 21.5 pt -100.86 170.75 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.108 0.48 . . . . 0.0 110.885 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -152.96 93.93 1.8 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.145 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p -90.84 152.56 20.71 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.981 176.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.575 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.737 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.841 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.841 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.59 HD13 HG21 ' A' ' 42' ' ' VAL . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.479 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.622 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.415 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.532 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -95.43 -15.28 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.29 81.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.344 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -83.3 -78.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.695 0.283 . . . . 0.0 111.762 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -137.42 -54.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.674 ' HG3' HD22 ' A' ' 97' ' ' LEU . 13.8 pt-20 -100.91 -26.05 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' A' ' 96' ' ' GLU . 4.0 mm? -85.36 73.74 10.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.521 . . . . 0.0 109.742 174.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m -94.88 23.29 5.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.268 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.524 HD21 HD12 ' A' ' 3' ' ' ILE . 10.2 tp -87.14 -43.53 12.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.5 -36.12 81.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.52 0.676 . . . . 0.0 110.343 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 126' ' ' HIS . 11.8 t-160 -119.2 54.62 0.97 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.804 -177.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -75.74 34.91 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.685 0.755 . . . . 0.0 111.018 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.492 ' H ' ' C ' ' A' ' 124' ' ' HIS . 64.2 t-80 -135.03 76.44 1.62 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -81.41 122.78 27.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.32 0.581 . . . . 0.0 111.587 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -85.66 129.81 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.288 171.457 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -94.58 -40.06 10.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 -177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 4' ' ' SER . 3.5 mp -127.03 166.98 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 3' ' ' ILE . 6.3 p -135.65 84.73 2.11 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.37 0.605 . . . . 0.0 110.104 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 HD23 ' A' ' 40' ' ' LEU . 1.9 m -90.32 168.31 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.32 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.687 ' HB3' ' HZ1' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.653 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD23 HG23 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.576 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.484 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.484 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD12 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.34 39.34 1.16 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.663 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -152.09 -135.52 2.27 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.9 t80 71.94 -54.47 0.68 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.427 0.691 . . . . 0.0 111.798 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -80.03 -82.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.83 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.61 25.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 109.819 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.663 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 2.9 mm? -79.86 105.32 11.06 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -70.68 -13.54 62.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.45 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' HG22 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.516 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt -55.49 -43.69 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -98.58 62.6 1.42 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.1 108.58 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.506 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -124.78 10.64 8.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.133 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -126.98 16.36 7.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.777 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -72.99 97.73 2.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.235 0.54 . . . . 0.0 109.825 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 75.5 t60 178.96 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.468 172.062 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.878 0.37 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -112.01 113.56 25.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 pt -123.33 177.71 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.722 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 m -150.52 91.68 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.311 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 9' ' ' VAL . 72.8 p -76.37 152.59 36.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.525 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HE2' ' HZ1' ' A' ' 29' ' ' LYS . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HZ1' ' HE2' ' A' ' 17' ' ' PHE . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.651 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.898 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.898 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.745 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.449 ' O ' HG21 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.745 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.993 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 t30 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' HG12 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 HD21 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.582 ' HB3' HG23 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' PRO . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.553 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.511 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.553 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.577 ' HB2' HD12 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.604 ' O ' HG22 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.651 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.56 ' N ' HD13 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.582 ' HG3' ' HB2' ' A' ' 96' ' ' GLU . 41.6 tt0 54.84 79.17 0.15 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.36 15.76 1.29 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.56 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . 77.0 t80 -117.18 -72.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.151 0.475 . . . . 0.0 110.499 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -151.52 28.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 109.158 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.582 ' HB2' ' HG3' ' A' ' 92' ' ' GLU . 3.6 mp0 -82.67 102.17 11.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.699 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.22 79.22 5.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m 66.37 20.11 10.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.923 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.402 ' O ' HG21 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.649 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.649 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.801 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.62 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.2 t-20 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.993 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' ' 124' ' ' HIS . 11.1 mp -87.66 -6.64 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 119' ' ' VAL . 44.3 mt-10 -83.46 28.04 0.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.801 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 122' ' ' LEU . 45.7 t60 60.38 85.24 0.11 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -171.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -57.37 -49.68 75.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.569 -166.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 3.4 t-80 73.28 169.27 0.31 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.731 0.644 . . . . 0.0 109.963 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 24.7 m80 70.4 90.02 0.1 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.261 0.553 . . . . 0.0 110.709 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -87.57 128.93 35.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.768 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.852 -0.595 . . . . 0.0 110.213 174.78 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.321 0.581 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -90.16 109.79 20.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.012 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -100.61 166.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m 60.21 95.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.566 0.698 . . . . 0.0 110.169 -171.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.632 HG23 HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -81.08 167.34 19.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.304 -173.023 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.53 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.53 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.646 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD23 HG23 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.518 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.613 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.613 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.92 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.92 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.635 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' HB3' HD11 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.767 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 13.7 t30 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.767 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.403 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.466 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.839 HD13 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.09 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.45 43.7 7.76 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.756 0.66 . . . . 0.0 113.809 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.95 -46.06 74.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -153.72 -76.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.669 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.72 135.81 38.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.207 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.25 82.64 6.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.045 0.45 . . . . 0.0 109.978 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -149.37 -52.11 0.16 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.484 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.839 ' HG ' HD13 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.534 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 2.2 t-20 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp -75.14 -77.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 48.18 50.98 15.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.774 0.797 . . . . 0.0 109.98 -170.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -83.59 40.85 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.126 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -82.19 58.89 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.37 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 7.0 t60 68.55 -72.64 0.1 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.122 0.569 . . . . 0.0 111.858 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -154.37 142.4 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -73.72 119.57 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.445 173.604 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.511 0.196 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' HB2' HD11 ' A' ' 3' ' ' ILE . 3.2 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.38 0.609 . . . . 0.0 109.604 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.805 HG13 HD12 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -137.97 172.87 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.401 177.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -144.05 88.33 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.0 110.534 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -96.61 174.4 6.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.559 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.644 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.711 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.711 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HE2' HD11 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD11 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.566 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' HG12 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.818 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.466 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.731 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.437 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.953 HD22 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.547 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.66 -2.21 0.33 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.19 69.3 2.75 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.682 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -125.55 84.85 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 66.31 19.46 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.046 169.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.791 ' HG2' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -87.89 166.97 14.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.097 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.97 80.31 1.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m 65.59 37.12 6.11 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.868 0.73 . . . . 0.0 110.553 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.791 HD22 ' HG2' ' A' ' 96' ' ' GLU . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.953 ' HG ' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' HB1' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.575 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.488 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.522 ' HA ' HD13 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.805 HD12 HG13 ' A' ' 3' ' ' ILE . 86.4 mt -66.39 -30.24 70.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.78 62.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 0.0 109.884 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.49 34.58 0.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.537 -176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -57.22 -36.99 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -94.22 -28.81 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.689 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 83.1 t60 57.57 82.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.578 0.549 . . . . 0.0 110.983 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 61.72 -167.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 117.719 -1.134 . . . . 0.0 108.45 170.409 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -77.17 142.57 39.58 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.59 165.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.102 0.477 . . . . 0.0 110.62 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.5 t -166.79 92.09 0.44 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.788 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p -103.21 164.6 11.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.883 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.755 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.755 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG21 ' A' ' 42' ' ' VAL . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.689 HD22 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.636 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.471 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.489 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.546 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.482 ' O ' HG21 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.19 -38.1 72.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.57 -32.5 71.23 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.175 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.39 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 110.548 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -83.11 -49.1 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -131.42 118.21 19.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.369 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.36 75.79 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m -149.49 63.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.546 ' O ' HG21 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.588 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.898 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.898 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 119' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.689 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp -67.08 -20.68 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.73 -6.16 49.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.942 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 63.31 29.71 15.73 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 122.102 0.953 . . . . 0.0 108.745 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -90.06 -37.43 14.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.572 -169.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 m80 58.06 -94.54 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.592 0.357 . . . . 0.0 110.606 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -165.18 167.12 18.41 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -119.83 -25.89 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.61 175.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -114.45 -48.93 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 pt -135.03 -175.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.868 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m 71.08 51.17 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.791 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 p -73.7 170.09 15.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.881 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HB3' HG22 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG12 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB2' HG12 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.483 ' HB3' HG21 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.496 HD11 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 79' ' ' ILE . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.549 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.496 ' CZ2' HD11 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' HB3' HD23 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.57 -3.05 52.23 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.32 -22.99 66.01 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -85.8 -17.48 35.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 0.0 110.368 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.55 -41.78 8.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.81 155.23 19.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.11 0.481 . . . . 0.0 110.783 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.72 90.7 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.318 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m 64.51 16.8 10.49 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.523 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.425 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.408 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.39 -23.45 57.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -100.1 24.2 8.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.97 17.76 23.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.663 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -84.85 76.29 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -132.71 132.67 42.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.054 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -59.54 108.29 0.7 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.305 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -91.61 99.03 12.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.145 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.311 177.017 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.821 0.343 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -95.89 68.67 2.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.157 0.504 . . . . 0.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -113.85 177.4 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.065 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t 66.69 35.49 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.744 0.783 . . . . 0.0 109.297 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 9' ' ' VAL . 27.4 p -77.34 172.77 12.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.835 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.69 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.69 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.53 ' HB2' HG11 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.866 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.866 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.458 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD12 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.51 -39.44 62.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.75 40.53 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.139 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -82.41 -29.28 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.961 0.41 . . . . 0.0 111.23 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -96.44 -63.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -108.92 123.24 48.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.905 0.384 . . . . 0.0 110.472 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.69 82.87 6.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.962 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p -152.78 79.47 1.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.427 HD13 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD12 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -74.42 -19.18 60.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.17 -7.52 51.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -83.53 130.92 35.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -69.21 -18.54 63.91 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -151.04 -75.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -162.86 120.79 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -155.77 127.21 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.589 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--O 1.242 0.69 0 CA-C-O 118.405 -0.807 . . . . 0.0 108.924 172.007 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.431 0.634 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -160.28 30.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.483 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 4' ' ' SER . 28.2 mt 70.25 161.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 -170.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 3' ' ' ILE . 8.4 t 54.74 74.37 0.36 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.266 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -76.12 164.97 25.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.741 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.619 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' HB3' ' HB1' ' A' ' 118' ' ' ALA . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HZ3' ' CD ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 59' ' ' ARG . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.519 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.692 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.646 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -80.51 -1.09 40.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.76 63.29 4.4 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.41 -57.04 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.408 ' HD1' ' HG3' ' A' ' 96' ' ' GLU . 47.5 t-80 -122.34 -46.46 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.827 0.346 . . . . 0.0 110.478 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' HG3' ' HD1' ' A' ' 95' ' ' HIS . 41.8 mt-10 -128.68 156.51 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.23 93.21 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m -118.02 -59.27 1.92 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.338 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' O ' HG22 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.562 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HD23 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.686 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.686 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' ' 37' ' ' ALA . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.657 HD12 HD22 ' A' ' 40' ' ' LEU . 7.8 mp -73.87 -54.56 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.15 66.7 0.72 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 122.161 0.982 . . . . 0.0 109.895 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.64 116.08 7.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.639 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -125.65 48.08 2.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.956 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 69.96 -49.07 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.48 109.59 0.41 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.44 0.696 . . . . 0.0 111.4 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -129.85 -26.65 2.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 175.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.12 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.731 0.3 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -79.66 -43.91 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.654 -175.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -116.29 172.64 4.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 m -124.69 77.95 1.64 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -87.81 169.31 12.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' ILE . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' HB2' HG11 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.64 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG21 ' HB3' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG13 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' HB3' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.579 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.579 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG11 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.477 ' HG3' HG11 ' A' ' 91' ' ' VAL . 43.1 mt-10 -121.25 63.33 0.89 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 89' ' ' LEU . . . -144.37 117.25 1.02 Allowed Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.1 t80 74.58 11.59 3.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 122.169 0.985 . . . . 0.0 108.528 -169.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -85.59 -75.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.867 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -141.38 -49.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 99' ' ' LEU . 3.2 mm? -91.86 105.77 17.96 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.825 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -74.96 21.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.395 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 97' ' ' LEU . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.853 HG22 HD21 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.842 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HB3' ' HZ3' ' A' ' 106' ' ' LYS . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.842 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' HG22 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.5 t-20 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.48 -64.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.619 ' OE1' ' HA ' ' A' ' 126' ' ' HIS . 0.1 OUTLIER 44.74 58.95 3.62 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.512 0.507 . . . . 0.0 111.758 -176.123 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -82.08 -36.1 27.98 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.348 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.619 ' HA ' ' OE1' ' A' ' 123' ' ' GLU . 15.0 m-70 62.89 121.97 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 124.001 0.813 . . . . 0.0 112.804 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -66.72 -43.78 83.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 71.26 139.71 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.329 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.154 172.344 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -145.07 106.15 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -121.2 164.41 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t 56.36 80.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.46 0.647 . . . . 0.0 109.975 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.406 HG23 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p -79.28 178.45 8.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.876 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB2' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD23 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.555 ' HE2' HG12 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.847 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' CD ' ' HZ2' ' A' ' 32' ' ' LYS . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' HD11 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.532 ' HB2' HG11 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.698 ' HA ' HG23 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 64' ' ' ASN . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.698 HG23 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.428 ' HA ' HG12 ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.511 ' HA ' HD11 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.55 ' HB3' HG21 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 79' ' ' ILE . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.53 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' HB ' ' CD ' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.433 ' CD ' ' HB ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 91' ' ' VAL . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.863 HD23 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -80.1 3.08 21.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.3 -7.4 60.21 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.897 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -60.44 -31.47 70.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.409 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.82 36.52 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.081 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 71.78 163.8 0.27 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.496 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.99 67.65 4.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.321 0.581 . . . . 0.0 110.458 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -107.26 32.66 4.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD13 HD23 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.432 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.432 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG12 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.832 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HD3' HD23 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.478 HG12 ' OE2' ' A' ' 123' ' ' GLU . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' HB2' HG23 ' A' ' 5' ' ' THR . 10.6 mp -96.1 -29.3 14.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.478 ' OE2' HG12 ' A' ' 119' ' ' VAL . 40.9 mt-10 -103.78 45.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 -177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.19 121.79 15.99 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -111.67 7.43 20.41 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 168.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.39 -31.49 65.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.229 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.84 101.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -53.81 106.94 0.21 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.082 -169.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.905 172.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -130.83 -43.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.21 161.66 4.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.375 0.607 . . . . 0.0 111.326 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -159.43 96.87 1.31 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.616 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.9 p -77.66 154.58 32.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.488 ' HB3' HG23 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.542 ' O ' HG21 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' CD ' ' HE2' ' A' ' 124' ' ' HIS . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 70' ' ' LYS . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD13 HG23 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.564 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 3.5 t30 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.497 HG23 HD13 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.417 ' C ' HD12 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.472 ' O ' HG21 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.769 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 61.18 27.31 17.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -107.41 74.0 0.21 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.58 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -97.91 -52.17 3.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -154.33 -43.42 0.09 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.901 172.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -137.42 -179.08 5.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.9 mm? -76.26 64.47 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m -161.76 92.94 0.89 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.939 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG21 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.769 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.405 ' O ' HG21 ' A' ' 119' ' ' VAL . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 115' ' ' VAL . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.99 -2.76 55.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 125' ' ' HIS . 44.5 mt-10 -112.78 73.19 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.896 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.417 ' HE2' ' CD ' ' A' ' 44' ' ' GLU . 10.6 m170 -79.17 28.65 0.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.388 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' H ' ' C ' ' A' ' 123' ' ' GLU . 32.1 t-80 -75.2 75.82 2.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 51.7 t60 71.17 -12.24 0.61 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.212 168.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -62.09 -35.86 79.95 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 66.09 164.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.107 0.479 . . . . 0.0 111.674 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.2 170.672 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE1' ' HA ' ' A' ' 4' ' ' SER . 13.4 tpt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.883 0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -79.97 -56.21 4.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.059 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -102.98 158.51 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.613 ' HB2' ' HG3' ' A' ' 8' ' ' GLU . 13.9 m -125.28 73.87 1.34 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.008 0.432 . . . . 0.0 110.736 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 HG21 ' H ' ' A' ' 6' ' ' SER . 6.6 m 69.6 176.26 0.28 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.787 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.475 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.613 ' HG3' ' HB2' ' A' ' 4' ' ' SER . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 30' ' ' TYR . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.802 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.802 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.579 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB2' HG12 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' CD ' ' HZ1' ' A' ' 67' ' ' LYS . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.773 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.528 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.773 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.665 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' HB2' HG23 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.496 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.636 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.24 -26.36 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.5 -13.27 60.43 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.114 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -78.24 -20.26 52.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.003 0.401 . . . . 0.0 110.611 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.07 -72.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.92 111.85 21.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.664 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.21 66.8 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p -155.05 85.32 1.09 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.317 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 HD23 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.528 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.817 ' HG ' HD12 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.36 -26.25 68.67 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.34 8.49 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.749 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 65.0 60.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 71.45 54.13 0.22 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.725 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.5 -159.97 0.29 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.242 174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -112.15 9.33 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.772 -168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -145.64 152.6 39.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.382 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.031 174.597 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 40.1 p . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.531 0.205 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HA ' ' A' ' 27' ' ' CYS . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 47' ' ' LEU . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.502 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.418 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' HG11 ' A' ' 115' ' ' VAL . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 13' ' ' GLU . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.776 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.731 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.886 0.374 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.731 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.421 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD22 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 115' ' ' VAL . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG13 ' HB1' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.605 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.7 0.286 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.893 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.893 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.769 HG22 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.68 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.517 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.466 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.659 HD21 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 24' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.528 0.204 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.828 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' HG ' HD21 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' VAL . 37.5 p . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.39 0.138 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.762 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.426 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 107' ' ' LEU . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' HG3' HG12 ' A' ' 91' ' ' VAL . 39.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.923 0.392 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 40' ' ' LEU . 9.8 mp . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.709 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 14.9 t-20 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.501 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.534 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 81' ' ' ILE . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD11 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' LYS . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HD3' HD11 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 122' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 51.6 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.679 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.514 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.514 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.539 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.529 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.749 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.412 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 24.6 t60 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.749 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.482 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.553 HG22 ' HB1' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.59 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.747 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.849 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 117' ' ' PHE . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG22 HD12 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 50' ' ' ILE . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.607 HD13 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.862 0.363 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.439 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 122' ' ' LEU . 10.2 tp . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 HG21 HD21 ' A' ' 40' ' ' LEU . 1.9 m . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' THR . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.648 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD1' ' HB1' ' A' ' 86' ' ' ALA . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.589 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' HD1' ' A' ' 31' ' ' TYR . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 119' ' ' VAL . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' VAL . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.8 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' THR . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 30' ' ' TYR . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.662 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.749 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.749 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 1.003 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' HG13 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.564 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.541 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.662 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.563 ' N ' HD12 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.665 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.8 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.636 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 24.3 t30 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . 1.003 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.645 HG21 HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.461 0.172 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.54 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HG21 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD13 ' A' ' 72' ' ' LEU . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.638 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.936 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.936 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.659 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB3' HD12 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.753 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.858 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.544 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 82' ' ' LEU . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 40.1 t30 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.655 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.655 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.732 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CB ' ' A' ' 10' ' ' TYR . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE2' HD12 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB2' HG13 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.417 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.576 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.974 HD23 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.548 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.738 0.304 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.974 ' HG ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.588 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 119' ' ' VAL . 86.4 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 120.57 0.224 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.643 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.643 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.765 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 34' ' ' ALA . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.658 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.658 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.593 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.488 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.593 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.488 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.919 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' VAL . 38.4 p . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.537 0.208 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 5' ' ' THR . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB3' HG21 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.6 ' HB2' HG13 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.506 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.565 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.422 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 9' ' ' VAL . 27.4 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.407 0.146 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.605 ' HB2' HG13 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.891 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.419 0.628 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.417 HD12 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 105' ' ' LYS . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.497 ' HG2' HD23 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 101' ' ' GLU . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 120.478 0.18 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB2' HG11 ' A' ' 111' ' ' VAL . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' LYS . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.588 ' HB2' HG13 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.425 ' HH2' HG11 ' A' ' 42' ' ' VAL . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.541 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' SER . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.525 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.505 ' HE2' HD22 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.679 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 40' ' ' LEU . 7.8 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.874 HD22 HG21 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 47' ' ' LEU . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' HG13 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.649 ' HA ' HG11 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.601 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' A' ' 91' ' ' VAL . 43.1 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.411 0.148 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.874 HG21 HD22 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.851 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 37.9 t30 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 30' ' ' TYR . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 104' ' ' VAL . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HE2' HG13 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ3' ' HA ' ' A' ' 36' ' ' GLU . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' HG13 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB2' HD12 ' A' ' 50' ' ' ILE . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 71' ' ' LEU . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.429 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.573 ' HB3' HG23 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 87' ' ' TRP . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.843 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HD3' HD22 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.597 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.552 HG13 ' HB1' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.427 ' HB2' HG21 ' A' ' 5' ' ' THR . 10.6 mp . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 72.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.49 ' HB3' HG21 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' HB1' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 HD12 HD11 ' A' ' 50' ' ' ILE . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.498 HD12 HG21 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.578 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 15.6 t-20 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.638 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.426 ' C ' HD11 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.773 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.773 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.576 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 6' ' ' SER . 6.6 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.578 ' H ' HG22 ' A' ' 5' ' ' THR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.813 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.787 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.527 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.678 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.634 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.634 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 121.091 0.472 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.443 HD22 HD22 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.521 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.8 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -79.22 -29.06 42.59 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 125' ' ' HIS . 21.5 pt -94.05 172.85 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.397 173.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m 68.43 60.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.985 0.803 . . . . 0.0 109.677 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 40.1 p -70.32 175.33 4.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.832 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HA ' ' A' ' 27' ' ' CYS . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 47' ' ' LEU . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.502 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.01 26.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.22 -43.44 95.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.922 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 20.0 t80 62.72 25.42 15.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.111 0.482 . . . . 0.0 110.994 172.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 22.9 t-80 73.87 -47.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.165 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.26 83.73 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.126 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.5 92.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.152 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -111.77 56.3 0.65 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.102 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.418 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.62 -35.42 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.73 11.08 7.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.166 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -95.87 99.83 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.952 0.406 . . . . 0.0 110.252 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 26.5 t-80 -178.95 -48.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.855 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -175.86 144.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -69.69 87.48 0.5 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 177.13 132.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.521 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.518 173.256 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.017 0.437 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -127.23 97.49 4.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.607 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 9' ' ' VAL . 18.5 pt -87.64 169.08 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.203 0.525 . . . . 0.0 111.324 -175.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 8' ' ' GLU . 19.6 m -94.12 43.52 1.11 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.686 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p 71.12 168.45 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 111.875 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' HG11 ' A' ' 115' ' ' VAL . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 13' ' ' GLU . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.776 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.731 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.2 mm-40 -91.74 39.95 1.02 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -158.85 39.78 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.491 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -96.84 -46.82 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.127 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.44 -86.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' C ' HD22 ' A' ' 97' ' ' LEU . 1.4 tm-20 -135.12 79.56 1.79 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.408 0.623 . . . . 0.0 109.518 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.771 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.2 mm? -121.77 104.88 9.9 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.145 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -76.99 -8.09 56.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.731 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.421 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD22 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 115' ' ' VAL . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG13 ' HB1' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.66 -46.96 9.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.44 49.79 1.88 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.656 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 3.11 13.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.049 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -75.5 -31.79 60.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 110.121 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -111.33 119.24 38.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.229 0.538 . . . . 0.0 109.702 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 129' ' ' HIS . 10.5 p80 -134.24 118.9 18.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -175.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.1 t60 71.83 -31.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.899 0.88 . . . . 0.0 111.298 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' A' ' 127' ' ' HIS . 54.6 p-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.311 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.471 ' HB2' ' HB3' ' A' ' 124' ' ' HIS . 56.8 m -130.45 88.3 2.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.819 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 pt -130.69 141.22 46.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 45.12 73.73 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.066 0.854 . . . . 0.0 111.296 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p -71.22 157.26 38.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.553 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 -93.71 37.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.83 78.31 0.76 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.471 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 92' ' ' GLU . 37.7 m-85 -82.26 35.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.419 0.287 . . . . 0.0 111.53 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 49.5 t60 67.98 97.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.716 0.635 . . . . 0.0 110.185 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER 72.3 131.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.9 -175.116 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.87 94.12 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.748 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -91.74 49.86 1.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.84 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.605 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.58 -66.65 0.86 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 126' ' ' HIS . 34.3 mm-40 43.05 57.47 3.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.311 -169.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 30.7 t-80 -84.92 76.84 10.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.417 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 83.3 t60 61.89 45.01 7.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.626 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.443 ' HB3' ' OE1' ' A' ' 123' ' ' GLU . 47.6 t-80 -95.48 -68.27 0.81 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -164.16 69.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -62.51 -58.31 8.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.211 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.683 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -91.63 -39.43 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.65 -177.77 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.544 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m 54.27 45.8 26.53 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.095 0.872 . . . . 0.0 110.848 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -66.26 159.91 25.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.797 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.893 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.893 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.769 HG22 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.68 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.517 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.466 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.659 HD21 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.18 -22.59 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.711 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -81.78 -123.88 0.7 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 171.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 68.4 t80 72.45 -53.14 0.7 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 111.605 174.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -90.4 58.13 3.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 66.09 27.8 10.45 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.333 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.711 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.7 mm? -83.26 97.83 9.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 109.867 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 24' ' ' VAL . 14.8 m -84.06 -16.52 43.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.828 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' HG ' HD21 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 124' ' ' HIS . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? -80.6 -45.28 17.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -88.43 45.4 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.33 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 121' ' ' SER . 4.1 t-80 -79.97 39.67 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.735 -174.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -84.75 44.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.209 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 56.26 89.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.025 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.536 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -73.05 -30.83 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 109.967 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.474 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.015 0.436 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -157.01 99.1 1.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.679 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 pt -113.9 172.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.428 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 m 59.84 79.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.947 0.779 . . . . 0.0 110.842 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' VAL . 37.5 p -70.23 175.62 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.011 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 94' ' ' PHE . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.762 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.426 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 107' ' ' LEU . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' HG3' HG12 ' A' ' 91' ' ' VAL . 39.5 mt-10 -125.91 87.47 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.74 146.67 10.21 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 28' ' ' GLU . 29.5 m-85 70.84 -46.95 0.64 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.18 0.992 . . . . 0.0 111.164 -177.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -75.17 82.72 2.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.788 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 73.77 -48.67 0.67 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.619 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.7 91.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.602 . . . . 0.0 110.655 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m -97.7 -11.11 23.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 40' ' ' LEU . 9.8 mp -85.28 -15.1 44.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.54 -21.8 64.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.646 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 73.13 131.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.399 1.062 . . . . 0.0 109.967 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 67.86 105.55 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.947 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -70.19 111.32 5.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.521 0.676 . . . . 0.0 111.996 -174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -87.22 102.83 14.85 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.418 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -141.5 68.47 1.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 111.721 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 m80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.045 175.132 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -74.61 -78.03 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -145.83 169.98 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -125.49 78.11 1.7 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.436 0.636 . . . . 0.0 110.323 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -90.4 156.15 18.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.709 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 14.9 t-20 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.501 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.534 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 81' ' ' ILE . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD11 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.96 11.79 32.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.34 71.18 2.72 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -77.56 19.46 0.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -170.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 71.33 -60.04 0.53 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.292 0.637 . . . . 0.0 111.071 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.5 -33.74 76.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 109.012 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.01 95.27 6.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.691 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -100.79 6.47 43.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.193 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' LYS . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HD3' HD11 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 122' ' ' LEU . 3.2 mm? -76.34 -32.79 58.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -80.26 -7.13 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -96.32 121.46 38.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.51 -58.99 4.48 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.53 0.519 . . . . 0.0 112.399 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -115.72 134.06 55.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.114 0.483 . . . . 0.0 110.953 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -76.86 137.45 39.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.561 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -80.28 84.45 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.243 0.745 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.999 171.734 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -148.62 17.54 1.02 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.5 pt -137.75 -179.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.1 m -138.03 92.42 2.66 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.533 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 51.6 p -63.13 160.3 15.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.679 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.461 HD21 ' N ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.514 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.514 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.539 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.529 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.749 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 24.6 t60 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -103.88 27.93 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.11 -81.54 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.265 -0.969 . . . . 0.0 110.754 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.6 t80 59.22 15.8 4.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.296 0.638 . . . . 0.0 111.945 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 67.1 4.45 3.62 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -91.8 -43.63 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.534 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.18 90.77 5.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.372 0.606 . . . . 0.0 110.791 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -87.97 67.52 9.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.749 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.482 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.553 HG22 ' HB1' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.0 -1.98 34.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.14 7.19 9.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 0.0 111.487 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' O ' ' HB3' ' A' ' 125' ' ' HIS . 54.9 p-80 -57.67 134.24 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.117 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 124' ' ' HIS . 32.5 t-80 75.29 -5.51 2.15 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 111.151 -178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.467 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 30.2 t-80 -109.15 -7.7 15.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.102 -0.373 . . . . 0.0 110.979 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 33.7 m-70 73.4 122.59 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.559 0.537 . . . . 0.0 111.07 -178.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -107.88 147.35 31.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.167 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.32 -0.847 . . . . 0.0 109.544 176.601 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.813 0.339 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -96.81 113.81 25.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.555 HD12 HD23 ' A' ' 122' ' ' LEU . 21.5 pt -100.86 170.75 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.108 0.48 . . . . 0.0 110.885 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -152.96 93.93 1.8 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.145 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p -90.84 152.56 20.71 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.981 176.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.59 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.747 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.849 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 117' ' ' PHE . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG22 HD12 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 50' ' ' ILE . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.607 HD13 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -95.43 -15.28 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.29 81.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.344 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -83.3 -78.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.695 0.283 . . . . 0.0 111.762 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -137.42 -54.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.699 ' HG3' HD22 ' A' ' 97' ' ' LEU . 13.8 pt-20 -100.91 -26.05 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.699 HD22 ' HG3' ' A' ' 96' ' ' GLU . 4.0 mm? -85.36 73.74 10.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.521 . . . . 0.0 109.742 174.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m -94.88 23.29 5.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.268 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.439 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 3' ' ' ILE . 10.2 tp -87.14 -43.53 12.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.5 -36.12 81.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.52 0.676 . . . . 0.0 110.343 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.465 ' C ' ' H ' ' A' ' 126' ' ' HIS . 11.8 t-160 -119.2 54.62 0.97 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.804 -177.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -75.74 34.91 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.685 0.755 . . . . 0.0 111.018 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 124' ' ' HIS . 64.2 t-80 -135.03 76.44 1.62 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -81.41 122.78 27.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.32 0.581 . . . . 0.0 111.587 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -85.66 129.81 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.288 171.457 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -94.58 -40.06 10.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 -177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 4' ' ' SER . 3.5 mp -127.03 166.98 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.526 ' N ' HG22 ' A' ' 3' ' ' ILE . 6.3 p -135.65 84.73 2.11 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.37 0.605 . . . . 0.0 110.104 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 HG21 HD21 ' A' ' 40' ' ' LEU . 1.9 m -90.32 168.31 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.32 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' THR . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.648 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD1' ' HB1' ' A' ' 86' ' ' ALA . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.589 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' HD1' ' A' ' 31' ' ' TYR . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.34 39.34 1.16 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -152.09 -135.52 2.27 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.9 t80 71.94 -54.47 0.68 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.427 0.691 . . . . 0.0 111.798 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -80.03 -82.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.83 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.2 tt0 -155.61 25.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 109.819 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 2.9 mm? -79.86 105.32 11.06 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -70.68 -13.54 62.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.45 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 119' ' ' VAL . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' VAL . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt -55.49 -43.69 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -98.58 62.6 1.42 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.1 108.58 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.506 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -124.78 10.64 8.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.133 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -126.98 16.36 7.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.777 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -72.99 97.73 2.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.235 0.54 . . . . 0.0 109.825 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 75.5 t60 178.96 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.468 172.062 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.878 0.37 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -112.01 113.56 25.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 pt -123.33 177.71 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.722 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 m -150.52 91.68 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.311 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.8 p -76.37 152.59 36.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' THR . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 30' ' ' TYR . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.662 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.749 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.749 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 1.003 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' HG13 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.564 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.541 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.662 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.563 ' N ' HD12 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.623 ' HG3' ' HB2' ' A' ' 96' ' ' GLU . 41.6 tt0 54.84 79.17 0.15 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.36 15.76 1.29 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.56 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . 77.0 t80 -117.18 -72.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.151 0.475 . . . . 0.0 110.499 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -151.52 28.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 109.158 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.623 ' HB2' ' HG3' ' A' ' 92' ' ' GLU . 3.6 mp0 -82.67 102.17 11.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.699 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.7 mm? -91.22 79.22 5.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 173.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m 66.37 20.11 10.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.923 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.665 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.8 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.636 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.2 t-20 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 1.003 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.66 -6.64 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 119' ' ' VAL . 44.3 mt-10 -83.46 28.04 0.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.801 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 45.7 t60 60.38 85.24 0.11 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -171.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -57.37 -49.68 75.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.569 -166.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 3.4 t-80 73.28 169.27 0.31 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.731 0.644 . . . . 0.0 109.963 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 24.7 m80 70.4 90.02 0.1 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.261 0.553 . . . . 0.0 110.709 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -87.57 128.93 35.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.768 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.852 -0.595 . . . . 0.0 110.213 174.78 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.321 0.581 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -90.16 109.79 20.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.012 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -100.61 166.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m 60.21 95.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.566 0.698 . . . . 0.0 110.169 -171.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.645 HG21 HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -81.08 167.34 19.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.304 -173.023 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.54 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HG21 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD13 ' A' ' 72' ' ' LEU . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.638 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.936 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.936 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.659 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB3' HD12 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.753 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.09 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.45 43.7 7.76 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.756 0.66 . . . . 0.0 113.809 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.95 -46.06 74.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -153.72 -76.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.669 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.72 135.81 38.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.207 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.25 82.64 6.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.045 0.45 . . . . 0.0 109.978 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -149.37 -52.11 0.16 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.484 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.858 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.544 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 82' ' ' LEU . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 40.1 t30 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp -75.14 -77.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 120' ' ' ASN . 31.5 mt-10 48.18 50.98 15.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.774 0.797 . . . . 0.0 109.98 -170.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -83.59 40.85 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.126 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -82.19 58.89 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.37 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 7.0 t60 68.55 -72.64 0.1 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.122 0.569 . . . . 0.0 111.858 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -154.37 142.4 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -73.72 119.57 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.445 173.604 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.511 0.196 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.406 ' HB2' HD13 ' A' ' 3' ' ' ILE . 3.2 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.38 0.609 . . . . 0.0 109.604 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.832 HG13 HD13 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -137.97 172.87 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.401 177.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -144.05 88.33 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.0 110.534 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -96.61 174.4 6.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.655 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.655 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.732 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CB ' ' A' ' 10' ' ' TYR . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE2' HD12 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB2' HG13 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.576 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.974 HD23 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.548 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.66 -2.21 0.33 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.19 69.3 2.75 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.682 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -125.55 84.85 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 66.31 19.46 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.046 169.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.805 ' HG2' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -87.89 166.97 14.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.097 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.97 80.31 1.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m 65.59 37.12 6.11 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.868 0.73 . . . . 0.0 110.553 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.805 HD23 ' HG2' ' A' ' 96' ' ' GLU . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.974 ' HG ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.588 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.832 HD13 HG13 ' A' ' 3' ' ' ILE . 86.4 mt -66.39 -30.24 70.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.78 62.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 0.0 109.884 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -79.49 34.58 0.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.537 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -57.22 -36.99 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -94.22 -28.81 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.689 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 83.1 t60 57.57 82.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.578 0.549 . . . . 0.0 110.983 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 61.72 -167.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 117.719 -1.134 . . . . 0.0 108.45 170.409 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -77.17 142.57 39.58 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.59 165.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.102 0.477 . . . . 0.0 110.62 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.5 t -166.79 92.09 0.44 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.788 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p -103.21 164.6 11.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.883 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.643 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.643 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.765 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 34' ' ' ALA . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.658 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.658 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.593 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.488 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.593 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.488 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.19 -38.1 72.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.57 -32.5 71.23 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.175 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.39 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 110.548 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -83.11 -49.1 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -131.42 118.21 19.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.369 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.36 75.79 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m -149.49 63.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.919 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp -67.08 -20.68 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.73 -6.16 49.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.942 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 63.31 29.71 15.73 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 122.102 0.953 . . . . 0.0 108.745 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -90.06 -37.43 14.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.572 -169.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 m80 58.06 -94.54 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.592 0.357 . . . . 0.0 110.606 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.18 167.12 18.41 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -119.83 -25.89 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.61 175.736 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -114.45 -48.93 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 pt -135.03 -175.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.868 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m 71.08 51.17 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.791 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' VAL . 38.4 p -73.7 170.09 15.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 5' ' ' THR . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB3' HG21 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 ' HB2' HG13 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.506 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.565 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.57 -3.05 52.23 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.32 -22.99 66.01 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -85.8 -17.48 35.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 0.0 110.368 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.55 -41.78 8.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.81 155.23 19.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.11 0.481 . . . . 0.0 110.783 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.72 90.7 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.318 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m 64.51 16.8 10.49 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.523 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.422 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.39 -23.45 57.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -100.1 24.2 8.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.97 17.76 23.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.663 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -84.85 76.29 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -132.71 132.67 42.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.054 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -59.54 108.29 0.7 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.305 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -91.61 99.03 12.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.145 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.311 177.017 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.821 0.343 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -95.89 68.67 2.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.157 0.504 . . . . 0.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -113.85 177.4 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.065 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t 66.69 35.49 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.744 0.783 . . . . 0.0 109.297 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 9' ' ' VAL . 27.4 p -77.34 172.77 12.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.835 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.605 ' HB2' HG13 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.891 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.51 -39.44 62.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.75 40.53 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.139 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -82.41 -29.28 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.961 0.41 . . . . 0.0 111.23 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -96.44 -63.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -108.92 123.24 48.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.905 0.384 . . . . 0.0 110.472 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.69 82.87 6.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.962 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p -152.78 79.47 1.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.417 HD12 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 105' ' ' LYS . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' HG2' HD23 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 101' ' ' GLU . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -74.42 -19.18 60.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.17 -7.52 51.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -83.53 130.92 35.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -69.21 -18.54 63.91 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -151.04 -75.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -162.86 120.79 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -155.77 127.21 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.589 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--O 1.242 0.69 0 CA-C-O 118.405 -0.807 . . . . 0.0 108.924 172.007 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.431 0.634 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -160.28 30.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.483 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 4' ' ' SER . 28.2 mt 70.25 161.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 -170.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 3' ' ' ILE . 8.4 t 54.74 74.37 0.36 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.266 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -76.12 164.97 25.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.741 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB2' HG11 ' A' ' 111' ' ' VAL . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' LYS . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.588 ' HB2' HG13 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' HH2' HG11 ' A' ' 42' ' ' VAL . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.541 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' SER . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.525 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -80.51 -1.09 40.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.76 63.29 4.4 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.41 -57.04 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -122.34 -46.46 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.827 0.346 . . . . 0.0 110.478 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.68 156.51 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.23 93.21 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m -118.02 -59.27 1.92 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.338 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.505 ' HE2' HD22 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.679 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 40' ' ' LEU . 7.8 mp -73.87 -54.56 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.15 66.7 0.72 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 122.161 0.982 . . . . 0.0 109.895 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.64 116.08 7.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.639 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -125.65 48.08 2.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.956 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 69.96 -49.07 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.48 109.59 0.41 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.44 0.696 . . . . 0.0 111.4 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -129.85 -26.65 2.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 175.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.12 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.731 0.3 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -79.66 -43.91 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.654 -175.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -116.29 172.64 4.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 m -124.69 77.95 1.64 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -87.81 169.31 12.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.874 HD22 HG21 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 47' ' ' LEU . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' HG13 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.649 ' HA ' HG11 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.601 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' A' ' 91' ' ' VAL . 43.1 mt-10 -121.25 63.33 0.89 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 89' ' ' LEU . . . -144.37 117.25 1.02 Allowed Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' GLY . 29.1 t80 74.58 11.59 3.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 122.169 0.985 . . . . 0.0 108.528 -169.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -85.59 -75.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.867 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -141.38 -49.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 99' ' ' LEU . 3.2 mm? -91.86 105.77 17.96 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.825 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -74.96 21.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.395 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 97' ' ' LEU . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.874 HG21 HD22 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.851 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 37.9 t30 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.48 -64.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 126' ' ' HIS . 0.1 OUTLIER 44.74 58.95 3.62 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.512 0.507 . . . . 0.0 111.758 -176.123 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -82.08 -36.1 27.98 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.348 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.627 ' HA ' ' OE1' ' A' ' 123' ' ' GLU . 15.0 m-70 62.89 121.97 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 124.001 0.813 . . . . 0.0 112.804 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -66.72 -43.78 83.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 71.26 139.71 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.329 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.154 172.344 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -145.07 106.15 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -121.2 164.41 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t 56.36 80.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.46 0.647 . . . . 0.0 109.975 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p -79.28 178.45 8.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.876 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 30' ' ' TYR . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 104' ' ' VAL . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HE2' HG13 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ3' ' HA ' ' A' ' 36' ' ' GLU . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' HG13 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB2' HD12 ' A' ' 50' ' ' ILE . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 71' ' ' LEU . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.429 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.573 ' HB3' HG23 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 87' ' ' TRP . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -80.1 3.08 21.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.3 -7.4 60.21 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.897 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -60.44 -31.47 70.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.409 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.82 36.52 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.081 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 71.78 163.8 0.27 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.496 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.99 67.65 4.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.321 0.581 . . . . 0.0 110.458 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -107.26 32.66 4.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.843 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HD3' HD22 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.597 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.552 HG13 ' HB1' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.486 HG13 ' OE2' ' A' ' 123' ' ' GLU . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.427 ' HB2' HG21 ' A' ' 5' ' ' THR . 10.6 mp -96.1 -29.3 14.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.486 ' OE2' HG13 ' A' ' 119' ' ' VAL . 40.9 mt-10 -103.78 45.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 -177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.19 121.79 15.99 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -111.67 7.43 20.41 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 168.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.39 -31.49 65.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.229 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.84 101.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 129' ' ' HIS . 50.2 t-80 -53.81 106.94 0.21 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.082 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 128' ' ' HIS . 10.6 p-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.905 172.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -130.83 -43.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.21 161.66 4.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.375 0.607 . . . . 0.0 111.326 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -159.43 96.87 1.31 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.616 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 72.9 p -77.66 154.58 32.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.49 ' HB3' HG21 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' HB1' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD12 HD11 ' A' ' 50' ' ' ILE . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD12 HG21 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.578 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 3.5 t30 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.638 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.426 ' C ' HD11 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.773 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 61.18 27.31 17.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -107.41 74.0 0.21 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.58 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -97.91 -52.17 3.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -154.33 -43.42 0.09 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.901 172.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -137.42 -179.08 5.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.9 mm? -76.26 64.47 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m -161.76 92.94 0.89 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.939 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.773 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.576 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.99 -2.76 55.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -112.78 73.19 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.896 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -79.17 28.65 0.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.388 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -75.2 75.82 2.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -174.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 51.7 t60 71.17 -12.24 0.61 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.212 168.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -62.09 -35.86 79.95 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 66.09 164.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.107 0.479 . . . . 0.0 111.674 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.2 170.672 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.883 0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -79.97 -56.21 4.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.059 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -102.98 158.51 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.614 ' HB2' ' HG3' ' A' ' 8' ' ' GLU . 13.9 m -125.28 73.87 1.34 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.008 0.432 . . . . 0.0 110.736 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 6' ' ' SER . 6.6 m 69.6 176.26 0.28 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.787 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.578 ' H ' HG22 ' A' ' 5' ' ' THR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.614 ' HG3' ' HB2' ' A' ' 4' ' ' SER . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.813 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.787 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.527 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.678 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.634 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.634 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.24 -26.36 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.5 -13.27 60.43 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.114 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -78.24 -20.26 52.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.003 0.401 . . . . 0.0 110.611 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.07 -72.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.92 111.85 21.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.664 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.21 66.8 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p -155.05 85.32 1.09 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.317 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.443 HD22 HD22 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.521 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.8 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.36 -26.25 68.67 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.34 8.49 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.749 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 65.0 60.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 71.45 54.13 0.22 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.725 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.5 -159.97 0.29 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.242 174.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -112.15 9.33 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.772 -168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -145.64 152.6 39.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.382 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.031 174.597 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 40.1 p . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.531 0.205 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HA ' ' A' ' 27' ' ' CYS . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 47' ' ' LEU . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.502 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.188 0.518 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.418 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' HG11 ' A' ' 115' ' ' VAL . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 13' ' ' GLU . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.776 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.731 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.886 0.374 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.731 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.421 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD22 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 115' ' ' VAL . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.508 HG13 ' HB1' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.553 -0.166 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' A' ' 54' ' ' VAL . 17.1 t-20 -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.605 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.7 0.286 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.893 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.893 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.769 HG22 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.68 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.517 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.466 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.659 HD21 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 24' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.528 0.204 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.828 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' HG ' HD21 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' VAL . 37.5 p . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.39 0.138 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.762 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.547 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.426 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 107' ' ' LEU . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' HG3' HG12 ' A' ' 91' ' ' VAL . 39.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.923 0.392 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 40' ' ' LEU . 9.8 mp . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.709 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.501 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.534 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 81' ' ' ILE . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD11 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' LYS . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HD3' HD11 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 122' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 51.6 p . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG3' HD22 ' A' ' 45' ' ' ASN . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.679 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.514 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.514 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.539 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.529 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.749 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.412 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 7.1 t-80 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.749 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.482 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.553 HG22 ' HB1' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.59 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.747 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.849 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 117' ' ' PHE . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.606 HG22 HD12 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 50' ' ' ILE . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.607 HD13 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.862 0.363 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.439 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 122' ' ' LEU . 10.2 tp . . . . . 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 HG21 HD21 ' A' ' 40' ' ' LEU . 1.9 m . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' THR . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.648 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD1' ' HB1' ' A' ' 86' ' ' ALA . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.589 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' HD1' ' A' ' 31' ' ' TYR . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.234 0.285 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 119' ' ' VAL . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' VAL . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.8 p . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' THR . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 30' ' ' TYR . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.662 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.749 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.749 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 1.003 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 t30 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' HG13 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.564 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.541 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.662 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.563 ' N ' HD12 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.464 0.25 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.665 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.8 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.636 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.2 t-20 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 1.003 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.645 HG21 HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.461 0.172 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.54 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HG21 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD13 ' A' ' 72' ' ' LEU . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.638 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.936 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.936 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.659 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB3' HD12 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 13.7 t30 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.753 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.858 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.544 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 82' ' ' LEU . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 2.2 t-20 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.655 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.655 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.732 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CB ' ' A' ' 10' ' ' TYR . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE2' HD12 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB2' HG13 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.417 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.576 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.974 HD23 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.548 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.738 0.304 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.974 ' HG ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.588 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 119' ' ' VAL . 86.4 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 120.57 0.224 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.643 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.643 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.765 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 34' ' ' ALA . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.658 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.658 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.593 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.488 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.593 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.488 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.035 0.445 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.919 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' VAL . 38.4 p . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.537 0.208 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 5' ' ' THR . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB3' HG21 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.6 ' HB2' HG13 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.506 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.565 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.642 0.258 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.422 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 9' ' ' VAL . 27.4 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.407 0.146 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.605 ' HB2' HG13 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.891 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.419 0.628 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.417 HD12 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 105' ' ' LYS . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.497 ' HG2' HD23 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 101' ' ' GLU . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.45 -0.465 0 CA-C-O 120.478 0.18 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB2' HG11 ' A' ' 111' ' ' VAL . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' LYS . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.588 ' HB2' HG13 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.425 ' HH2' HG11 ' A' ' 42' ' ' VAL . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.541 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' SER . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.525 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.505 ' HE2' HD22 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.679 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 40' ' ' LEU . 7.8 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.874 HD22 HG21 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 47' ' ' LEU . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' HG13 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.649 ' HA ' HG11 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.601 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' A' ' 91' ' ' VAL . 43.1 mt-10 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 120.411 0.148 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.874 HG21 HD22 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.851 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.5 t-20 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 30' ' ' TYR . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 104' ' ' VAL . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HE2' HG13 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ3' ' HA ' ' A' ' 36' ' ' GLU . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' HG13 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB2' HD12 ' A' ' 50' ' ' ILE . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 71' ' ' LEU . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.429 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.573 ' HB3' HG23 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 87' ' ' TRP . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.234 0.256 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.843 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HD3' HD22 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.597 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.552 HG13 ' HB1' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.427 ' HB2' HG21 ' A' ' 5' ' ' THR . 10.6 mp . . . . . 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 72.9 p . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.49 ' HB3' HG21 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' HB1' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.626 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.447 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.411 HD12 HD11 ' A' ' 50' ' ' ILE . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.498 HD12 HG21 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.578 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 3.5 t30 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.638 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.426 ' C ' HD11 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.773 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.773 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.576 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 6' ' ' SER . 6.6 m . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.578 ' H ' HG22 ' A' ' 5' ' ' THR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.813 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.787 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.527 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.678 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.634 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.634 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 121.091 0.472 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.443 HD22 HD22 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.521 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.8 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -79.22 -29.06 42.59 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 125' ' ' HIS . 21.5 pt -94.05 172.85 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.599 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.397 173.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m 68.43 60.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 123.985 0.803 . . . . 0.0 109.677 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 40.1 p -70.32 175.33 4.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.832 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -57.46 -36.55 71.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.795 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.74 74.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.661 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.19 -40.9 91.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.333 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -61.22 -54.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.158 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HD2' ' HG3' ' A' ' 29' ' ' LYS . 38.5 m-85 -65.67 -33.23 75.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.354 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 70.2 t80 -64.11 -39.54 94.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.136 0.494 . . . . 0.0 109.789 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.09 -38.61 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.638 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 71.5 mt-10 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.536 176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.8 86.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.041 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 10.6 mm-40 -59.75 -40.22 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.103 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -53.41 58.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.13 -33.3 69.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.955 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -59.28 -39.93 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.429 0.633 . . . . 0.0 109.882 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -9.56 50.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.687 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -78.36 -29.96 47.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.806 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 124.5 1.99 8.28 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.752 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -120.41 110.74 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.387 -0.478 . . . . 0.0 110.451 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.12 -26.53 39.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.422 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.9 t -71.14 -54.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.522 -172.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -64.05 -28.26 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.354 . . . . 0.0 110.942 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.25 77.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.984 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 93.3 m -64.51 -30.04 71.07 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.984 -176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.79 -35.52 80.27 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -74.38 -35.74 63.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 178.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HA ' ' A' ' 27' ' ' CYS . 36.5 m-85 -60.92 -45.77 93.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.012 0.434 . . . . 0.0 110.331 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.09 -48.7 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.028 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.18 -28.78 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.711 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.9 95.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.946 0.403 . . . . 0.0 109.99 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -39.34 84.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.308 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' HD13 ' A' ' 65' ' ' LEU . 33.5 tt0 -56.51 -50.56 71.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.631 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 77.3 mm-40 -60.0 -43.79 94.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.018 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.32 -42.51 86.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.012 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.3 mm -60.77 -47.27 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.367 175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 56.5 mtpt -56.07 -44.09 78.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.991 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.09 -44.47 97.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.336 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.4 mt -66.79 -36.36 82.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.878 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 47' ' ' LEU . 97.3 t -54.93 -45.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.122 0.486 . . . . 0.0 110.467 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.0 mm -70.85 -46.11 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.946 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.5 tm-20 -63.73 -50.13 70.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.359 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -9.49 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.037 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.0 t30 62.38 76.5 0.36 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.871 0.843 . . . . 0.0 111.004 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' VAL . 95.3 mt -96.2 78.3 3.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.88 175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -60.86 -36.39 79.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.778 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -68.05 -22.38 64.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.097 0.475 . . . . 0.0 111.224 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.6 mm -85.19 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.98 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' HG12 ' A' ' 54' ' ' VAL . 11.0 p -69.35 -35.33 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.935 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -57.36 -38.26 73.89 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.139 0.495 . . . . 0.0 110.267 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.88 -35.68 67.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.53 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 51' ' ' THR . 3.7 p -85.43 -21.2 7.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.144 0.497 . . . . 0.0 110.721 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.31 -22.44 66.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.497 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -65.83 -37.27 85.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.048 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -96.96 -173.59 2.74 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.717 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.26 -13.77 25.89 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.08 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.19 173.57 11.47 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -80.41 147.89 30.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG3' ' OE1' ' A' ' 63' ' ' GLU . 26.7 tptp -124.0 155.03 38.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.405 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 p -56.13 -51.18 68.86 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' OE1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 pm0 -67.69 -25.76 65.84 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.44 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' A' ' 35' ' ' GLU . 76.4 mt -67.05 -38.74 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.636 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -64.93 -39.67 93.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.173 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -63.41 -42.06 98.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.276 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -63.17 -42.04 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.097 178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -73.01 -26.71 61.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.03 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 6.6 mmtt -58.92 -42.29 89.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.231 0.539 . . . . 0.0 110.25 176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 75.8 mt -78.34 -156.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.179 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.5 mt 66.1 12.84 8.78 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.94 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 2.9 tmt_? -70.99 -22.6 62.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.499 . . . . 0.0 109.762 -178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.9 m -73.67 -10.27 59.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.719 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -106.03 -57.69 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.502 ' HB3' HG13 ' A' ' 79' ' ' ILE . 49.0 t-20 -142.88 128.09 18.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.461 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -78.7 -19.92 51.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.058 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.732 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 33.8 mt-10 -84.6 -14.65 48.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 76' ' ' ASN . 70.6 mt -49.1 -55.7 19.57 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 19.7 Cg_endo -59.76 -35.95 92.94 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.108 1.872 . . . . 0.0 112.166 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.97 -44.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.835 -177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 29.8 mt -65.25 -45.36 84.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.522 -177.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -61.09 -44.09 97.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.387 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.2 -34.37 77.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.276 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.6 m -67.31 -41.77 84.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.942 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.71 87.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.135 0.493 . . . . 0.0 110.142 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -55.11 -43.17 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.438 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 56.7 m -57.63 -41.43 81.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.823 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 107' ' ' LEU . 89.9 mt -59.13 -36.44 75.21 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 111.727 -176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -84.81 -37.49 20.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.781 0.324 . . . . 0.0 110.788 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.22 -39.03 72.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.269 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -90.01 26.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.22 -43.44 95.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.922 175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 95' ' ' HIS . 20.0 t80 62.72 25.42 15.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.111 0.482 . . . . 0.0 110.994 172.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 22.9 t-80 73.87 -47.05 0.64 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.165 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.26 83.73 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.278 0.561 . . . . 0.0 110.126 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.5 92.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.152 -177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 m -111.77 56.3 0.65 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.102 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -78.72 114.06 17.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.771 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 104' ' ' VAL . 93.5 m-20 -92.64 159.06 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.988 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.72 -30.7 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.621 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -50.63 -47.29 58.45 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.157 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' ' HE2' ' A' ' 106' ' ' LYS . 29.2 mm-40 -74.95 -37.25 62.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.673 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 100' ' ' ASN . 85.6 t -59.35 -42.24 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.377 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -57.1 -34.01 67.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 103' ' ' GLU . 51.4 mtmt -73.9 -58.18 3.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.8 mm? -61.34 -35.14 76.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.292 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 82.2 tttt -62.0 -40.33 95.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 110.411 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.7 mm-40 -70.42 -37.6 74.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.418 ' CG ' HD22 ' A' ' 82' ' ' LEU . 68.9 m-20 -70.86 -41.72 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.063 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.21 -33.69 62.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 108' ' ' LYS . 29.0 ttt180 -59.74 -34.62 73.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.896 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 91.6 mttt -60.84 -52.41 65.2 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.942 174.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.23 -49.75 74.5 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.259 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 119' ' ' VAL . 78.6 t -63.11 -51.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.234 -175.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 71.8 mt -61.4 -30.0 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 0.0 110.234 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -72.41 -52.05 17.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.293 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.82 94.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.375 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 115' ' ' VAL . 60.0 t -69.76 -32.67 52.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.304 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -76.37 -22.01 55.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.052 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 56.2 m -81.53 -26.62 34.93 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 121.517 0.675 . . . . 0.0 109.406 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.62 -35.42 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.681 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 65.73 11.08 7.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.166 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -95.87 99.83 11.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.952 0.406 . . . . 0.0 110.252 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 26.5 t-80 -178.95 -48.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.855 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -175.86 144.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -69.69 87.48 0.5 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 177.13 132.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.521 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.5 m170 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.518 173.256 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtt . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 121.017 0.437 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 p -127.23 97.49 4.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.607 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 9' ' ' VAL . 18.5 pt -87.64 169.08 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.203 0.525 . . . . 0.0 111.324 -175.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 8' ' ' GLU . 19.6 m -94.12 43.52 1.11 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.686 -178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p 71.12 168.45 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.304 1.442 . . . . 0.0 111.875 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 9' ' ' VAL . 17.0 m -56.46 -23.69 40.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.723 177.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -61.41 -54.38 44.34 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' HG11 ' A' ' 115' ' ' VAL . 6.5 mt-10 -77.81 -28.45 50.35 Favored 'General case' 0 C--N 1.334 -0.068 0 C-N-CA 119.76 -0.776 . . . . 0.0 111.163 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 5' ' ' THR . 75.7 t -58.02 -52.86 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.978 174.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.09 -36.35 83.31 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.623 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 89.5 t80 -60.88 -42.71 98.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.501 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.69 -40.98 98.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.619 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' HB2' ' HG2' ' A' ' 29' ' ' LYS . 42.9 mt-10 -59.52 -41.35 89.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 176.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.56 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.305 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 5.5 mm-40 -64.41 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.401 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 4.1 mm-40 -69.62 -37.69 76.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.294 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 35.3 m-85 -75.22 -28.81 60.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.832 0.349 . . . . 0.0 110.767 176.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.85 -33.25 73.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -70.08 -28.42 65.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.666 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 20' ' ' LYS . 13.3 tppt? -68.96 -48.77 62.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.446 175.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 24.15 2.71 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.417 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -128.95 132.68 47.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.634 -0.333 . . . . 0.0 110.687 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.74 -23.17 23.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.13 -53.66 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.045 0.45 . . . . 0.0 110.8 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -66.97 -34.23 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.394 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.8 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.971 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.31 -37.91 73.19 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.423 -177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.54 -42.78 93.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.569 ' HG2' ' HB2' ' A' ' 13' ' ' GLU . 5.6 mptp? -74.8 -35.58 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.071 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -59.68 -45.87 90.79 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.93 -48.48 80.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.926 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 68.1 mmtt -67.36 -33.34 75.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.623 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.46 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.166 0.507 . . . . 0.0 110.166 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.28 -42.91 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.22 -41.83 97.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 49.6 mm-40 -56.69 -47.68 79.33 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.499 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.38 -47.24 85.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.274 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 42' ' ' VAL . 32.2 mm -54.43 -50.01 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 62.3 pttt -63.62 -41.05 98.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.695 -177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 36' ' ' GLU . 7.5 mp -57.07 -46.79 82.22 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -64.67 -36.19 83.48 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.704 0.288 . . . . 0.0 110.96 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 38' ' ' ILE . 85.0 t -62.36 -38.06 80.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.96 0.41 . . . . 0.0 111.024 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.5 mm -65.24 -51.33 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.627 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.11 -37.22 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.549 -174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -76.78 -13.38 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.571 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.5 t30 57.35 73.59 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.302 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.3 mt -90.71 86.76 6.45 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -58.28 -39.94 80.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.618 -174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.31 -32.86 65.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.25 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 54' ' ' VAL . 49.4 mm -89.3 -50.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.006 -177.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -71.56 -19.73 62.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -172.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -84.09 -19.42 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.308 0.575 . . . . 0.0 109.456 174.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -91.33 -41.88 10.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.678 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' ILE . 64.0 t -67.09 -19.06 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 22.9 tptt -65.84 -14.18 60.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.917 -179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -75.33 -24.57 57.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.751 0.786 . . . . 0.0 109.689 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -105.15 161.68 14.04 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.707 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.2 -1.88 62.49 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -146.93 147.41 30.74 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -64.27 115.25 4.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.309 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -88.5 152.51 21.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.505 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.5 m -45.06 -46.22 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.925 -172.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.618 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 9.7 pt-20 -59.02 -39.45 81.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -76.99 -24.1 52.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.635 0.255 . . . . 0.0 110.921 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 62' ' ' SER . 93.6 mt -62.59 -52.09 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 36.6 p90 -76.96 -26.57 54.13 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.691 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 6.2 tmtt? -63.81 -46.24 85.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.616 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -69.96 -43.7 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.136 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.2 m -60.09 -32.3 70.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.133 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -63.07 -53.5 52.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.567 0.698 . . . . 0.0 110.185 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.08 -33.54 70.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.65 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 93.7 mt -67.84 -2.24 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.296 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 73' ' ' ARG . 12.1 ttm180 -58.91 -28.52 66.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.144 0.497 . . . . 0.0 110.164 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.7 m -60.24 -31.59 70.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.6 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -82.56 -62.82 1.51 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.724 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.776 ' HB3' HG13 ' A' ' 79' ' ' ILE . 46.6 t-20 -133.81 128.05 33.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.2 t -64.62 -24.23 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.778 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 26.2 mt-10 -84.86 -14.21 48.58 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -176.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.776 HG13 ' HB3' ' A' ' 76' ' ' ASN . 64.7 mt -53.77 -53.09 61.45 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.9 Cg_endo -56.47 -30.6 82.79 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.131 1.888 . . . . 0.0 112.248 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.3 mt -74.9 -41.85 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.254 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 40.1 mt -58.73 -49.78 76.33 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.316 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -68.26 -39.51 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.53 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -50.75 -53.07 34.7 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 111.063 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB3' HD21 ' A' ' 107' ' ' LEU . 21.0 m -62.94 -45.03 94.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.226 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.45 83.76 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 111.397 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.46 ' CZ2' ' HB3' ' A' ' 62' ' ' SER . 51.7 t-105 -60.46 -41.33 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.514 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.5 m -58.95 -35.48 73.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.263 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.731 HD11 ' HG ' ' A' ' 107' ' ' LEU . 53.8 mt -68.96 -29.62 67.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.027 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -82.62 -36.83 25.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.83 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.5 t -71.59 -56.71 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.214 0.531 . . . . 0.0 110.489 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.2 mm-40 -91.74 39.95 1.02 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.435 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -158.85 39.78 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.491 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -96.84 -46.82 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.127 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -86.44 -86.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' C ' HD22 ' A' ' 97' ' ' LEU . 1.4 tm-20 -135.12 79.56 1.79 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.408 0.623 . . . . 0.0 109.518 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.771 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.2 mm? -121.77 104.88 9.9 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.145 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 m -76.99 -8.09 56.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.352 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.6 mt 60.56 -164.04 0.24 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.294 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.482 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.3 m-80 -131.18 150.25 52.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 105' ' ' LYS . 29.6 tt0 -71.95 -36.1 69.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.038 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -53.97 -39.39 65.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.565 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.21 -32.18 38.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.272 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 100' ' ' ASN . 74.7 t -63.47 -33.42 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.089 0.471 . . . . 0.0 110.585 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 64.8 mttm -58.24 -40.43 81.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -45.75 37.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.731 ' HG ' HD11 ' A' ' 89' ' ' LEU . 2.0 mm? -57.45 -34.63 69.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.007 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -57.13 -43.21 82.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.605 0.241 . . . . 0.0 111.485 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.421 ' HG2' ' HE2' ' A' ' 113' ' ' LYS . 28.3 tt0 -71.18 -43.8 66.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.382 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.416 ' HA ' HD22 ' A' ' 82' ' ' LEU . 73.7 m-20 -59.18 -55.1 39.24 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.814 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 115' ' ' VAL . 95.7 t -61.05 -39.4 82.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.941 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG13 ' A' ' 116' ' ' ILE . 23.9 ttt180 -69.38 -34.89 75.21 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.993 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE2' ' HG2' ' A' ' 109' ' ' GLU . 52.7 mtmt -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.874 0.369 . . . . 0.0 110.668 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.7 tp -75.28 -43.23 52.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.341 0.591 . . . . 0.0 109.466 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.508 HG13 ' HB1' ' A' ' 7' ' ' ALA . 50.9 t -59.71 -43.47 91.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.536 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 112' ' ' ARG . 86.8 mt -54.4 -35.76 31.97 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.082 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -75.5 -40.83 56.62 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.201 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.71 93.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.561 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.61 -36.67 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.355 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.97 -24.78 68.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.836 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -68.14 -33.75 75.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.287 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.66 -46.96 9.06 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.367 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 126' ' ' HIS . 38.5 mt-10 -87.44 49.79 1.88 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.656 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 3.11 13.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.049 -168.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -75.5 -31.79 60.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 110.121 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 123' ' ' GLU . 47.8 p-80 -111.33 119.24 38.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.229 0.538 . . . . 0.0 109.702 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' A' ' 129' ' ' HIS . 10.5 p80 -134.24 118.9 18.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 -175.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 18.1 t60 71.83 -31.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.899 0.88 . . . . 0.0 111.298 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' A' ' 127' ' ' HIS . 54.6 p-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.311 176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.471 ' HB2' ' HB3' ' A' ' 124' ' ' HIS . 56.8 m -130.45 88.3 2.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.819 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.1 pt -130.69 141.22 46.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 176.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m 45.12 73.73 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 124.066 0.854 . . . . 0.0 111.296 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 9' ' ' VAL . 46.7 p -71.22 157.26 38.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.553 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m -53.02 -39.4 63.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.289 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 -52.17 66.8 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.898 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -60.31 -39.71 87.98 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.251 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 5' ' ' THR . 86.9 t -63.75 -54.81 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.386 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 53.4 m-85 -63.37 -38.54 91.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.006 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.53 -38.94 91.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 110.164 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 35.6 tt0 -67.77 -44.67 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.02 -36.22 76.77 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.714 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.54 -44.29 93.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.985 0.421 . . . . 0.0 109.999 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.2 -36.72 83.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.645 176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 68.6 mm-40 -61.14 -50.34 73.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 177.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.22 -30.49 67.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.5 -33.54 76.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.0 110.298 177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -77.66 -24.64 49.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.145 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -75.94 -23.09 55.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.372 0.606 . . . . 0.0 109.616 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.69 28.09 15.24 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.86 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -112.7 113.12 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.99 -23.16 23.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.448 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -70.39 -56.7 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 110.767 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -71.45 -34.65 70.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.925 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.97 85.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.767 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.581 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 33.9 t -61.16 -42.47 98.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.618 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.35 -32.91 74.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.533 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 71.2 mmtt -66.11 -55.51 16.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.04 -176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.581 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.4 p90 -71.36 -19.53 62.27 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.748 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -66.29 -51.64 55.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.232 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 35' ' ' GLU . 92.7 mttt -66.14 -27.96 68.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.224 -178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -59.87 -34.71 73.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.095 0.474 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.1 -38.79 69.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.084 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 32' ' ' LYS . 16.5 mt-10 -61.58 -46.62 89.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.145 0.497 . . . . 0.0 109.995 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -61.58 -46.19 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.982 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.56 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.855 -176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.1 mm -56.94 -43.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.125 0.488 . . . . 0.0 110.154 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.2 ttpt -58.79 -48.38 81.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.691 178.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.97 -48.82 67.12 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.58 -44.98 81.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 38' ' ' ILE . 58.2 t -66.88 -36.79 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.68 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' LYS . 73.5 mt -69.55 -51.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.68 -29.45 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -82.47 -16.49 48.62 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 59.19 78.67 0.25 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.892 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 HD21 ' A' ' 72' ' ' LEU . 90.7 mt -82.62 87.3 6.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 86.8 tttt -62.6 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.161 -171.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.91 -27.79 69.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.472 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 54' ' ' VAL . 50.3 mm -93.65 -47.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.633 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.543 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 23.6 p -57.63 -36.62 72.07 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -69.13 -23.77 64.01 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.758 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.92 -17.6 37.28 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 110.814 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' ILE . 16.8 t -84.78 -10.44 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.09 0.472 . . . . 0.0 110.123 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.92 -22.15 66.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -69.32 -35.73 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.358 0.599 . . . . 0.0 110.143 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -94.78 160.33 14.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.958 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.15 -10.74 58.2 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.031 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -155.88 159.13 39.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -65.28 153.16 41.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.442 0.639 . . . . 0.0 112.3 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -119.88 151.19 39.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.891 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 87' ' ' TRP . 3.2 p -55.08 -40.93 70.91 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -61.78 -37.38 84.13 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.18 0.514 . . . . 0.0 110.788 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' ND2' HG22 ' A' ' 54' ' ' VAL . 17.1 t-20 -76.18 -30.54 58.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.328 0.585 . . . . 0.0 109.748 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 62' ' ' SER . 99.1 mt -64.38 -38.68 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.382 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -73.26 -26.89 61.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.358 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -45.57 67.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.517 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -69.69 -38.65 77.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.744 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 p -73.34 -25.58 60.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.61 -43.25 72.05 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.763 0.792 . . . . 0.0 109.934 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.1 mt -78.14 -155.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.667 -1.151 . . . . 0.0 110.404 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' LEU . 89.1 mt 66.72 3.06 2.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.88 0.472 . . . . 0.0 111.689 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.472 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 5.2 tmm_? -69.99 -23.91 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.69 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.7 m -56.85 -29.34 62.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -97.63 -58.22 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 56.0 t30 -141.73 122.6 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.8 m -73.67 -13.29 60.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.502 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 49.8 mt-10 -68.5 -27.78 66.43 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.272 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.8 mt -55.75 -56.75 26.65 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -57.36 -32.02 92.71 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.05 1.834 . . . . 0.0 112.258 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -71.88 -39.83 67.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 83.5 mt -59.78 -45.27 92.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.09 0.471 . . . . 0.0 110.328 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.458 ' CZ3' ' HA ' ' A' ' 35' ' ' GLU . 70.9 t-105 -69.98 -33.64 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.285 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.29 -43.05 74.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.064 0.459 . . . . 0.0 110.45 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 m -62.12 -44.21 97.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.25 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.56 79.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.096 0.474 . . . . 0.0 110.655 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.469 ' O ' HG23 ' A' ' 91' ' ' VAL . 71.2 t-105 -61.79 -33.3 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.382 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 39.5 m -56.29 -46.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.488 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 107' ' ' LEU . 78.9 mt -65.77 -35.56 81.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.501 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -67.49 -37.65 83.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.782 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' TRP . 88.8 t -72.51 -43.21 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.39 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 88' ' ' THR . 16.3 pt-20 -93.71 37.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 111.116 -177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.83 78.31 0.76 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.471 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 92' ' ' GLU . 37.7 m-85 -82.26 35.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.419 0.287 . . . . 0.0 111.53 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 49.5 t60 67.98 97.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.716 0.635 . . . . 0.0 110.185 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER 72.3 131.53 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.9 -175.116 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.87 94.12 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.748 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -91.74 49.86 1.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.84 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.76 168.09 10.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.573 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -100.33 178.44 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.505 ' HB3' ' HE2' ' A' ' 105' ' ' LYS . 33.5 mt-10 -66.26 -24.97 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -174.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -56.73 -46.61 81.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.898 0.38 . . . . 0.0 111.782 -174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -71.58 -36.9 71.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.12 -50.92 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.505 ' HE2' ' HB3' ' A' ' 101' ' ' GLU . 67.3 mttm -59.62 -42.66 93.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.61 -50.72 66.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.92 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.0 mm? -61.89 -37.63 85.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.206 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -60.73 -37.35 81.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.346 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.605 ' HG3' HH21 ' A' ' 112' ' ' ARG . 39.6 tt0 -69.28 -45.16 70.31 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.319 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -50.56 73.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.963 177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.5 t -61.12 -40.57 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.693 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' ' 109' ' ' GLU . 11.5 ttp180 -58.2 -45.28 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.962 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -61.2 -33.64 73.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' HB2' HD13 ' A' ' 82' ' ' LEU . 55.8 tp -77.23 -46.36 23.44 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.631 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 111' ' ' VAL . 80.2 t -60.86 -50.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.367 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.15 -33.94 52.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.399 . . . . 0.0 110.115 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -68.87 -41.2 78.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 109.844 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.83 -52.57 14.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.434 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.22 -41.56 90.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.523 0.201 . . . . 0.0 111.115 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -67.02 -26.19 66.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.8 t -64.01 -44.04 93.78 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.58 -66.65 0.86 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.262 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 126' ' ' HIS . 34.3 mm-40 43.05 57.47 3.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.311 -169.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 2' ' ' SER . 30.7 t-80 -84.92 76.84 10.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.417 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 83.3 t60 61.89 45.01 7.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.626 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.443 ' HB3' ' OE1' ' A' ' 123' ' ' GLU . 47.6 t-80 -95.48 -68.27 0.81 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 175.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -164.16 69.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -62.51 -58.31 8.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.211 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.683 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -91.63 -39.43 11.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.65 -177.77 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.544 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.6 m 54.27 45.8 26.53 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 124.095 0.872 . . . . 0.0 110.848 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -66.26 159.91 25.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.797 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -53.06 -41.79 65.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.165 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.17 73.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.955 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -56.7 -52.28 56.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.621 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -65.55 -42.16 92.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.626 0.25 . . . . 0.0 111.197 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.65 -39.85 94.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.782 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.6 -51.32 69.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.502 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.65 -39.86 92.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.631 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.58 91.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.47 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -64.09 -37.09 86.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.975 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.11 -38.44 88.22 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.669 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.74 -38.16 62.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.641 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.9 -31.2 72.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.953 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -91.26 -3.67 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.955 0.407 . . . . 0.0 110.774 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -85.7 -30.4 23.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.774 176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.9 6.43 8.48 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.142 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -116.03 138.61 51.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.257 0.528 . . . . 0.0 110.654 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD22 HG21 ' A' ' 104' ' ' VAL . 82.8 mt -93.06 -37.63 12.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.299 -177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 98' ' ' SER . 46.9 t -71.28 -43.6 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.46 -170.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.71 -34.5 74.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.0 110.77 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.09 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' TYR . 78.6 m -61.51 -34.86 76.23 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.668 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.06 -43.81 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 0.0 109.716 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -77.81 -24.73 48.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.509 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB3' HG21 ' A' ' 111' ' ' VAL . 11.5 m-85 -64.29 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 80.3 t80 -61.8 -47.65 84.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.206 177.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.893 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 16.6 mttm -71.76 -28.62 63.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -30.48 70.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.24 0.543 . . . . 0.0 110.112 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.66 -41.65 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.567 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.893 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.0 pt-20 -61.12 -39.31 89.55 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.945 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 77.8 mm-40 -62.35 -37.69 86.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.048 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 118' ' ' ALA . . . -64.2 -49.34 72.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.527 178.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.5 mm -59.09 -44.27 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.211 0.529 . . . . 0.0 109.669 176.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 43' ' ' ILE . 87.2 tttt -51.11 -57.18 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.905 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -54.49 -47.71 72.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 122.977 0.511 . . . . 0.0 112.142 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 67.7 mt -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.103 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.769 HG22 HD12 ' A' ' 47' ' ' LEU . 99.6 t -84.47 -34.96 10.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 122.102 -0.374 . . . . 0.0 111.02 173.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 39' ' ' LYS . 76.8 mt -74.35 -53.62 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -23.26 51.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.732 0.777 . . . . 0.0 110.899 -174.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.68 ' HB3' ' O ' ' A' ' 41' ' ' LEU . 23.5 t30 -98.13 -21.67 16.62 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.822 -175.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 57.56 82.91 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.208 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 42' ' ' VAL . 80.8 mt -79.87 98.33 7.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -52.92 -53.32 51.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.497 -172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.83 -22.79 65.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.913 0.387 . . . . 0.0 111.275 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 54' ' ' VAL . 34.4 mm -80.8 -45.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.243 178.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.8 p -64.93 -34.23 77.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.334 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -60.23 -37.8 81.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 173.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.03 -22.74 60.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.184 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 50' ' ' ILE . 57.6 t -68.33 -23.8 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.513 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.12 -10.74 53.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.68 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.979 0.419 . . . . 0.0 110.985 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -99.82 -7.36 25.49 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.69 -43.93 3.24 Favored Glycine 0 C--N 1.318 -0.452 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.413 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -107.34 161.0 15.19 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -61.45 123.66 18.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -118.94 85.29 2.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.79 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.9 m 42.02 -84.88 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 166.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.52 -30.22 40.43 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.722 0.809 . . . . 0.0 112.497 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.517 ' OD1' HG23 ' A' ' 50' ' ' ILE . 31.2 t-20 -59.98 -35.42 74.96 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.926 0.394 . . . . 0.0 110.421 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.25 -34.02 76.77 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.185 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -71.58 -40.58 69.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.82 -43.75 87.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.73 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.439 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -55.22 -47.83 74.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.013 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -64.85 -33.15 75.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.59 -43.55 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.25 -34.47 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.988 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 68.4 mt -64.41 -10.4 24.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 112.082 -178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.61 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 27.2 ttt180 -64.9 -28.52 69.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.844 0.354 . . . . 0.0 110.296 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.6 m -76.3 -6.1 49.99 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.187 0.518 . . . . 0.0 110.819 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -97.89 -47.89 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.466 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.7 t-20 -153.61 126.22 8.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.102 174.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 9.6 t -68.49 -19.07 64.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -172.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 52.5 mt-10 -84.14 -20.86 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 76' ' ' ASN . 66.0 mt -56.22 -54.36 53.6 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.61 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 31.8 Cg_endo -63.88 -25.04 67.51 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.321 2.014 . . . . 0.0 112.242 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.5 mt -69.07 -45.95 79.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.877 177.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 34.5 mt -66.04 -44.73 83.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.273 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -59.71 -39.35 84.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.481 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.4 ttpm? -53.47 -42.67 67.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.647 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 m -62.52 -47.66 82.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' TYR . . . -66.64 -38.26 86.54 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.207 0.527 . . . . 0.0 110.646 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -60.16 -42.39 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.917 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 84.9 m -61.41 -41.01 96.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.173 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.659 HD21 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -56.44 -41.4 76.39 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.952 0.406 . . . . 0.0 111.424 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.438 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 12.4 t60 -85.74 -50.07 7.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -176.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.5 -56.49 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.18 -22.59 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.046 0.451 . . . . 0.0 110.404 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.711 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -81.78 -123.88 0.7 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 171.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 90' ' ' HIS . 68.4 t80 72.45 -53.14 0.7 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 111.605 174.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -90.4 58.13 3.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 66.09 27.8 10.45 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.333 174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.711 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 3.7 mm? -83.26 97.83 9.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.18 0.514 . . . . 0.0 109.867 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 24' ' ' VAL . 14.8 m -84.06 -16.52 43.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.8 mt 62.43 -163.51 0.26 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.856 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.23 175.01 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.237 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.93 -42.78 80.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.61 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -51.73 -44.2 63.17 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.308 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.38 -47.71 59.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.235 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.828 HG21 HD22 ' A' ' 23' ' ' LEU . 60.6 t -62.02 -37.63 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.17 -176.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -55.48 -35.4 65.49 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.493 177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -75.82 -52.51 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.154 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' HG ' HD21 ' A' ' 89' ' ' LEU . 3.6 mm? -54.05 -42.97 69.81 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -60.95 -38.85 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 111.162 -177.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' A' ' 108' ' ' LYS . 24.3 tt0 -83.3 -36.55 24.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.188 0.518 . . . . 0.0 110.576 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 0.6 OUTLIER -64.28 -46.24 84.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.445 -177.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' A' ' 30' ' ' TYR . 91.8 t -71.26 -32.17 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 116' ' ' ILE . 56.6 ttt180 -63.43 -34.51 77.9 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 5.6 mmmm -54.31 -46.42 72.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.244 173.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -67.66 -35.14 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 119' ' ' VAL . 96.7 t -62.98 -43.09 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.372 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 112' ' ' ARG . 78.6 mt -58.43 -34.57 51.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.317 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -69.96 -38.67 76.19 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -68.67 -46.56 68.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.824 178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 122' ' ' LEU . 59.2 t -63.54 -31.1 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.299 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -63.56 -16.95 62.23 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.705 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 124' ' ' HIS . 32.9 t -78.97 -24.66 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.121 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 119' ' ' VAL . 3.5 mm? -80.6 -45.28 17.58 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -88.43 45.4 1.28 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.33 173.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 121' ' ' SER . 4.1 t-80 -79.97 39.67 0.44 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.735 -174.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -84.75 44.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.209 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 56.26 89.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.025 -176.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.536 -178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -73.05 -30.83 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 109.967 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.474 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttp . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.015 0.436 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -157.01 99.1 1.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.679 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 pt -113.9 172.46 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.428 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.9 m 59.84 79.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.947 0.779 . . . . 0.0 110.842 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' VAL . 37.5 p -70.23 175.62 4.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.011 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -51.84 -44.84 63.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.16 99.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.1 -39.27 93.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.029 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 5' ' ' THR . 77.1 t -57.27 -51.3 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 56.0 m-85 -70.08 -34.31 73.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 108' ' ' LYS . 92.0 t80 -67.62 -41.36 84.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -60.07 -44.44 94.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -61.89 -39.18 91.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.44 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.64 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.363 . . . . 0.0 110.372 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.4 -39.02 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.375 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.31 -48.15 81.11 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.484 177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 44.8 m-85 -70.93 -29.98 66.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.992 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.17 -35.5 79.79 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -75.51 -26.77 58.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.281 0.562 . . . . 0.0 109.765 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -67.23 -40.24 86.34 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.539 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.85 28.96 5.72 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.27 110.62 16.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -84.18 -27.03 28.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.087 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.03 -45.29 48.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.069 0.462 . . . . 0.0 110.938 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 96.9 mt-30 -72.3 -28.3 63.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.36 49.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 25.1 p -62.49 -34.39 76.76 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 94' ' ' PHE . 7.9 pt-20 -73.08 -31.59 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.846 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 73.6 mmtt -66.96 -49.99 63.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.393 -176.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 12.0 p90 -74.97 -19.39 60.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.244 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -63.71 -42.52 97.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 0.0 109.991 172.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 70.4 mmtt -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.761 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.96 74.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.34 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.68 -45.36 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' HH2' ' A' ' 83' ' ' TRP . 20.4 mt-10 -62.34 -43.32 99.09 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 37.4 mm-40 -61.51 -38.39 87.16 Favored 'General case' 0 C--N 1.337 0.03 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.356 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -60.92 -45.31 95.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.184 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.9 mm -58.95 -50.02 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.393 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG13 ' A' ' 43' ' ' ILE . 8.2 ptmm? -66.03 -32.35 73.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.352 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 45.6 mt -63.31 -44.37 95.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 37' ' ' ALA . 11.0 mp -66.61 -33.94 76.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.068 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 38' ' ' ILE . 91.8 t -61.71 -36.66 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 39' ' ' LYS . 71.9 mt -60.05 -45.33 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.73 -177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.05 -29.23 61.8 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -78.4 -15.61 58.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.9 t30 59.62 35.07 22.44 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 110.438 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.46 94.43 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.682 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 35.7 ttmt -69.81 -22.12 63.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.21 -42.02 72.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.32 176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.6 mm -84.86 -33.52 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.036 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 47.3 p -69.19 -41.11 77.57 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.887 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -71.63 -18.83 62.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.245 0.545 . . . . 0.0 110.325 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -79.16 -50.43 11.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.984 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -74.44 -17.37 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.409 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.86 -27.52 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.891 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -69.89 -43.64 71.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -14.92 42.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.9 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.48 -32.51 2.34 Favored Glycine 0 C--N 1.319 -0.386 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.914 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -138.58 153.49 48.68 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -66.2 142.31 57.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.905 -174.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.762 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 21.5 ptmt -130.56 150.52 51.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.872 174.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.667 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.1 p -52.88 -34.36 54.37 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.762 ' HB3' ' HE2' ' A' ' 61' ' ' LYS . 43.9 tt0 -62.27 -42.92 99.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.882 0.372 . . . . 0.0 110.879 177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.547 ' H ' ' HG3' ' A' ' 61' ' ' LYS . 17.4 t-20 -71.22 -33.69 70.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.234 0.54 . . . . 0.0 109.962 177.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 62' ' ' SER . 73.1 mt -66.69 -38.0 85.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.391 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -63.77 -40.04 95.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 109.933 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -60.7 -45.72 93.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.815 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -64.6 -41.11 96.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.451 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -62.8 -28.11 69.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.981 0.42 . . . . 0.0 111.13 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -64.01 -44.39 92.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 109.534 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -71.34 -34.93 70.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.858 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 87.8 mt -65.85 -13.41 59.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.505 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 1.5 tmt_? -58.56 -25.56 62.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 m -62.05 -26.55 68.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -82.48 -51.77 7.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.995 0.426 . . . . 0.0 109.919 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 49.9 t-20 -160.19 137.1 9.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -68.7 -15.86 63.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.882 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.1 mt-10 -67.28 -33.16 74.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 2.1 mp -56.21 -58.74 14.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 17.4 Cg_endo -59.31 -30.91 94.08 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.921 1.747 . . . . 0.0 112.63 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 76.9 mt -71.31 -46.18 66.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.688 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 69.0 mt -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.618 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.426 ' HH2' ' HG2' ' A' ' 35' ' ' GLU . 67.1 t-105 -65.5 -37.56 87.16 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -57.86 -41.68 82.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.967 0.413 . . . . 0.0 110.32 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 107' ' ' LEU . 42.2 m -58.37 -45.89 87.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.987 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.87 -40.39 75.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.116 0.484 . . . . 0.0 110.469 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.3 t-105 -56.7 -40.17 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.274 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -32.56 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.822 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -66.0 -25.76 67.23 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 110.568 177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -84.84 -31.56 23.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.971 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' TRP . 54.6 t -73.23 -57.42 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.358 177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' HG3' HG12 ' A' ' 91' ' ' VAL . 39.5 mt-10 -125.91 87.47 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.705 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.74 146.67 10.21 Favored Glycine 0 N--CA 1.432 -1.605 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 28' ' ' GLU . 29.5 m-85 70.84 -46.95 0.64 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 124.18 0.992 . . . . 0.0 111.164 -177.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -75.17 82.72 2.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.788 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 73.77 -48.67 0.67 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.619 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.7 91.64 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.363 0.602 . . . . 0.0 110.655 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.4 m -97.7 -11.11 23.84 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.4 mt 63.93 -167.57 0.21 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.547 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' A' ' 102' ' ' LYS . 9.0 p30 -134.33 167.57 20.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.1 -41.94 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.93 -174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.544 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 60.2 tptt -56.45 -46.31 80.38 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.264 0.554 . . . . 0.0 111.172 -178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.3 -41.13 57.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.564 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.3 t -63.9 -41.28 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -64.59 -29.71 70.73 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.824 -178.08 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 106' ' ' LYS . 42.4 mtmt -72.56 -48.77 37.34 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.321 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -58.17 -37.28 74.41 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.707 0.629 . . . . 0.0 110.107 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 108' ' ' LYS . 3.9 tmmm? -60.24 -38.67 84.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.003 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -75.58 -38.7 58.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.24 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -59.57 -46.86 87.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.118 0.485 . . . . 0.0 110.093 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 30' ' ' TYR . 77.2 t -66.15 -39.47 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.53 175.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 112' ' ' ARG . 20.3 ttt180 -55.68 -38.61 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' A' ' 82' ' ' LEU . 26.1 mtpp -58.46 -44.26 89.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.53 -43.66 72.55 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 176.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 119' ' ' VAL . 69.4 t -59.87 -48.94 85.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.685 -177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 81.3 mt -58.4 -32.98 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.09 -38.56 35.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.054 0.455 . . . . 0.0 110.115 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.66 -47.04 82.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.675 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 115' ' ' VAL . 58.7 t -62.93 -40.08 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.455 0.645 . . . . 0.0 109.802 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.9 t-20 -59.47 -23.71 62.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.682 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 t -75.42 -34.72 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.449 HD11 HD22 ' A' ' 40' ' ' LEU . 9.8 mp -85.28 -15.1 44.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.059 -177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.54 -21.8 64.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.646 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 73.13 131.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 124.399 1.062 . . . . 0.0 109.967 -174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 67.86 105.55 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.947 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.709 ' HB3' ' HD2' ' A' ' 128' ' ' HIS . 21.4 m-70 -70.19 111.32 5.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.521 0.676 . . . . 0.0 111.996 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -87.22 102.83 14.85 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.418 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.709 ' HD2' ' HB3' ' A' ' 126' ' ' HIS . 13.5 p80 -141.5 68.47 1.33 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.87 0.367 . . . . 0.0 111.721 -176.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 41.0 m80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.045 175.132 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -74.61 -78.03 0.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -145.83 169.98 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -125.49 78.11 1.7 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.436 0.636 . . . . 0.0 110.323 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -90.4 156.15 18.43 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.293 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 p -57.91 -33.79 69.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.407 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.89 -53.16 61.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.836 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -59.8 -47.8 84.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 75.7 t -59.22 -50.95 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.428 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -73.6 -27.42 61.28 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 65.2 t80 -67.9 -38.78 83.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 173.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -66.92 -35.27 79.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.084 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' VAL . 12.8 mm-40 -60.53 -46.72 89.1 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.7 -39.63 81.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 8.8 mm-40 -61.58 -45.26 94.88 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.582 176.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.96 -46.72 89.57 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.152 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -69.08 -28.77 66.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.585 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.11 -41.24 92.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -82.61 -12.09 57.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -82.65 -13.55 56.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.46 28.36 48.29 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.213 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -122.18 107.5 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.059 0.457 . . . . 0.0 110.089 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.29 -34.21 70.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.131 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -69.75 -49.99 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.879 0.371 . . . . 0.0 110.561 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -58.78 -42.29 88.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.274 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.3 -51.17 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.631 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 76.5 m -59.32 -47.2 86.3 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.564 -178.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.25 -32.89 74.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 12.4 mptt -79.41 -40.31 30.32 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -175.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.709 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 p90 -77.06 -16.39 59.26 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.085 175.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -63.2 -43.55 97.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 48.3 mmtt -66.65 -33.03 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.896 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.96 -36.43 83.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.869 0.366 . . . . 0.0 110.5 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.44 -51.34 52.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.506 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.57 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 110.904 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 60.9 mm-40 -68.33 -27.5 66.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 40' ' ' LEU . . . -75.47 -40.69 57.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 173.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.5 mm -58.22 -45.98 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.311 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 1.1 pptp? -62.85 -30.98 71.92 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.006 0.431 . . . . 0.0 110.735 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 44.4 mt -62.86 -45.84 90.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.821 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.83 -35.71 75.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 111.224 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 47' ' ' LEU . 59.2 t -59.84 -55.72 22.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.3 mt -74.56 -30.69 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.338 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.81 -23.6 65.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.196 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 37.6 m-80 -97.43 -88.56 0.3 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.155 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 170.7 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.319 0.387 . . . . 0.0 110.412 -172.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 50' ' ' ILE . 83.7 mt -79.58 66.58 5.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.434 0.635 . . . . 0.0 110.685 -176.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -59.51 -31.92 69.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.254 -173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.26 -38.58 68.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.11 0.481 . . . . 0.0 110.725 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 47' ' ' LEU . 3.6 mp -83.48 -41.48 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.342 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -54.78 -40.31 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.44 -43.16 99.36 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.002 0.429 . . . . 0.0 110.933 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -74.19 -19.51 60.51 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.133 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 50' ' ' ILE . 95.4 t -80.75 -32.34 12.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 109.948 175.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -69.06 -17.94 63.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.674 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -72.89 -57.2 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.503 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.0 tmtm? -80.73 -16.45 53.85 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.199 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.32 -12.31 55.42 Favored Glycine 0 C--N 1.316 -0.558 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.708 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.501 HH11 ' HD1' ' A' ' 60' ' ' TRP . 9.9 tpt85 -153.02 163.07 40.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 39' ' ' LYS . 49.6 m95 -72.94 126.29 29.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.0 110.521 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -83.08 -72.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.564 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -176.92 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.577 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -52.33 -37.71 56.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.236 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' HB3' HG23 ' A' ' 50' ' ' ILE . 5.3 m120 -53.09 -45.9 68.43 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.008 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.6 -30.79 67.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.183 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 60.5 m-85 -69.89 -44.1 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.017 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -69.72 -41.97 74.62 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.323 0.582 . . . . 0.0 109.762 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -53.84 -51.79 62.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.539 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -71.28 -28.9 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.975 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 6.1 tmtt? -63.19 -44.01 96.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.974 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.17 -35.41 66.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 96.1 mt -68.8 -16.47 63.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.13 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.534 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -63.11 -23.48 67.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.677 178.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -75.87 -17.81 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.58 -39.91 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' HG13 ' A' ' 79' ' ' ILE . 39.4 t30 -149.97 117.85 6.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.703 175.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 3.6 m -63.44 -25.9 68.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.171 -174.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 81' ' ' ILE . 26.2 mt-10 -75.07 -16.74 60.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.0 mt -56.41 -57.09 25.24 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -175.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.4 Cg_endo -63.05 -30.08 75.65 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.706 1.604 . . . . 0.0 112.213 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' GLU . 69.1 mt -66.18 -42.82 91.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.335 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD11 ' HD3' ' A' ' 113' ' ' LYS . 69.9 mt -73.67 -32.87 64.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -61.69 -39.18 90.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.128 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -53.89 -46.28 71.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.175 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -54.93 -48.53 73.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.149 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.55 80.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 111.236 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -65.32 -27.96 68.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.8 m -60.74 -37.77 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.05 -25.54 68.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.159 0.504 . . . . 0.0 110.584 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.54 -56.8 3.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.417 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.2 t -73.41 -49.01 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.251 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.96 11.79 32.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.886 0.374 . . . . 0.0 111.721 -172.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -87.34 71.18 2.72 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -77.56 19.46 0.37 Allowed 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -170.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 71.33 -60.04 0.53 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.292 0.637 . . . . 0.0 111.071 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.5 -33.74 76.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 109.012 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.01 95.27 6.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.691 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.7 t -100.79 6.47 43.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.193 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.2 mt 65.2 -173.63 0.18 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.038 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 102' ' ' LYS . 21.3 m-80 -106.97 165.28 11.46 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -55.87 -32.49 63.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.773 0.797 . . . . 0.0 109.234 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 31.6 ttpt -49.93 -47.17 52.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.075 -1.421 . . . . 0.0 111.241 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.19 -47.64 60.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 27' ' ' CYS . 54.1 t -55.22 -46.16 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.798 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 51.3 mtmt -61.5 -36.93 81.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.614 -177.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -76.24 -48.71 19.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.088 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -37.75 69.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.341 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 105' ' ' LYS . 23.6 pttm -59.81 -37.24 78.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.11 0.481 . . . . 0.0 110.195 179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' LYS . 46.6 mt-10 -83.38 -25.39 31.4 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.468 -178.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -62.67 -42.52 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG21 ' HD1' ' A' ' 30' ' ' TYR . 93.7 t -70.78 -37.13 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.494 174.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -55.78 -42.51 75.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' HD3' HD11 ' A' ' 82' ' ' LEU . 32.9 tttt -55.07 -43.43 73.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.913 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.4 mp -66.65 -46.45 75.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.275 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' VAL . 96.4 t -62.49 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.372 -177.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 84.9 mt -59.5 -34.29 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.267 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.01 -45.29 42.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 109.997 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.03 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.88 -33.18 60.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 12.8 t-20 -60.82 -36.23 78.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.376 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.1 t -69.68 -29.98 67.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 122' ' ' LEU . 3.2 mm? -76.34 -32.79 58.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.875 0.369 . . . . 0.0 110.502 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -80.26 -7.13 58.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.939 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -96.32 121.46 38.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.51 -58.99 4.48 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.53 0.519 . . . . 0.0 112.399 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -115.72 134.06 55.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.114 0.483 . . . . 0.0 110.953 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -76.86 137.45 39.18 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.561 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -80.28 84.45 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.243 0.745 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.999 171.734 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 p -148.62 17.54 1.02 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.415 0.626 . . . . 0.0 110.257 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.5 pt -137.75 -179.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.86 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.1 m -138.03 92.42 2.66 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.061 -0.972 . . . . 0.0 108.533 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 51.6 p -63.13 160.3 15.64 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 -177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' HD2' ' A' ' 10' ' ' TYR . 7.6 m -51.41 -42.22 61.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 178.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -56.38 -51.11 69.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.835 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.02 -41.13 91.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.411 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 5' ' ' THR . 87.1 t -60.64 -56.32 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.454 ' HD2' ' O ' ' A' ' 6' ' ' SER . 80.2 m-85 -63.22 -36.84 84.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 110.831 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 18.5 t80 -64.86 -40.13 94.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.52 -30.66 71.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 58.0 mt-10 -68.29 -38.56 81.8 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.36 92.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.969 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -66.58 -31.13 71.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.567 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.64 -53.16 60.75 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.53 -31.73 72.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.135 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.7 tp -67.29 -32.12 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.041 0.448 . . . . 0.0 110.529 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.8 m -77.2 -21.22 54.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.317 0.579 . . . . 0.0 109.893 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -79.02 -45.43 20.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.7 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.74 19.45 3.05 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.101 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.65 119.64 40.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.35 -31.08 21.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.396 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -69.57 -51.58 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.247 -171.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -70.85 -31.01 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 110.067 -178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.61 96.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.652 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.685 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 92.2 m -56.11 -48.03 76.97 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 16.0 mm-40 -61.08 -43.47 98.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.159 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 7.6 mmpt? -61.16 -48.73 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.685 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 5.1 p90 -76.19 -22.13 55.66 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.679 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 32.8 t80 -69.62 -37.34 76.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.724 -0.39 . . . . 0.0 109.991 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -56.01 -41.56 75.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 174.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -65.7 -34.0 77.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.307 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' HB2' HG22 ' A' ' 111' ' ' VAL . . . -65.7 -45.5 82.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.904 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' TYR . 18.4 mt-10 -66.03 -37.23 85.35 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 68.4 mm-40 -57.86 -51.75 68.3 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.856 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -57.71 -45.61 85.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . 35.2 mm -57.52 -50.05 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.444 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.1 pttp -70.72 -31.32 68.13 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.883 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLU . 71.1 mt -61.06 -42.84 99.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.605 0.241 . . . . 0.0 110.472 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 37' ' ' ALA . 9.2 mp -62.82 -42.01 99.54 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.378 175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.4 t -59.93 -33.61 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' LYS . 85.4 mt -72.98 -49.5 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.312 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG3' HD22 ' A' ' 45' ' ' ASN . 4.6 pt-20 -72.62 -37.63 67.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.492 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 HD22 ' HG3' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -71.02 -22.49 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t30 65.26 79.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.515 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.528 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.7 mt -96.92 90.12 5.1 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 168.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -58.47 -40.2 82.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.206 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -61.31 -20.13 62.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.951 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.2 mm -100.9 -43.24 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.496 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -78.99 -21.84 46.43 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -73.88 -20.44 60.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.271 0.558 . . . . 0.0 109.82 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . 40.2 m-20 -68.59 -28.6 67.08 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.762 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -78.9 7.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.4 0.619 . . . . 0.0 111.288 -173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -67.17 -29.87 69.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -168.61 -76.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.955 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -86.42 98.04 10.79 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.973 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 53' ' ' ASN . . . 132.77 59.16 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -94.32 165.25 12.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.964 0.411 . . . . 0.0 110.124 -172.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -74.77 37.27 0.11 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.773 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -69.62 -60.73 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 0.0 111.042 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' HH2' ' A' ' 87' ' ' TRP . 22.9 p -163.06 -48.66 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.272 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.679 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 10.9 pt-20 -54.3 -49.64 69.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.213 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 21.4 t30 -69.84 -23.96 63.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.084 0.468 . . . . 0.0 110.591 -175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.29 -51.59 35.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.725 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 25.8 p90 -75.69 -26.22 57.41 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.645 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -60.51 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.781 177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -70.65 -44.36 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.129 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 p -64.33 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.538 -175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -64.11 -45.09 90.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.41 0.624 . . . . 0.0 109.887 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.17 -33.79 76.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.106 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.39 -4.09 13.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.532 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.5 tmm_? -62.33 -33.45 74.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.768 0.318 . . . . 0.0 110.372 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -66.95 -32.77 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.471 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.02 -49.75 18.77 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.514 ' HB3' HG13 ' A' ' 79' ' ' ILE . 48.1 t-20 -154.43 124.9 6.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.2 t -68.15 -24.43 64.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.723 -173.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 31.9 mt-10 -71.1 -27.24 63.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.514 HG13 ' HB3' ' A' ' 76' ' ' ASN . 65.8 mt -55.94 -59.07 12.68 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.539 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 27.5 Cg_endo -62.8 -31.1 78.35 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.958 1.772 . . . . 0.0 112.532 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.1 mt -71.88 -44.77 67.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.665 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -68.6 -35.93 78.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.056 0.455 . . . . 0.0 110.313 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE3' HG13 ' A' ' 38' ' ' ILE . 65.8 t-105 -64.1 -33.79 76.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.212 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.48 -40.5 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.705 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.1 m -60.33 -48.7 80.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.189 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.72 93.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.997 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.529 ' HH2' ' HB2' ' A' ' 62' ' ' SER . 63.0 t-105 -57.67 -30.42 65.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.678 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.9 m -60.57 -34.58 74.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.614 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.749 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.9 mt -69.99 -28.59 65.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.757 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' HB2' ' OH ' ' A' ' 31' ' ' TYR . 7.1 t-80 -80.53 -46.1 16.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.192 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.02 -53.48 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -103.88 27.93 7.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.11 -81.54 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.265 -0.969 . . . . 0.0 110.754 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.6 t80 59.22 15.8 4.47 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.296 0.638 . . . . 0.0 111.945 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 67.1 4.45 3.62 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.813 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -91.8 -43.63 9.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.534 -175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.18 90.77 5.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.372 0.606 . . . . 0.0 110.791 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.5 m -87.97 67.52 9.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -46.74 142.37 3.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.955 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 104' ' ' VAL . 39.9 m-80 -66.79 160.53 25.7 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.275 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.77 -39.78 90.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 84.4 tttt -59.22 -42.34 90.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.075 0.464 . . . . 0.0 110.929 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' HD3' ' A' ' 106' ' ' LYS . 19.4 tt0 -72.12 -28.54 63.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 100' ' ' ASN . 79.3 t -63.1 -35.56 72.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.168 173.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 109' ' ' GLU . 56.4 mttp -58.04 -35.3 71.12 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HD3' ' HG3' ' A' ' 103' ' ' GLU . 53.2 mtpt -53.87 -57.22 11.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.749 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.1 mm? -66.68 -34.77 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.571 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.482 ' HG3' ' OH ' ' A' ' 11' ' ' TYR . 22.6 ttmm -57.56 -40.54 79.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 45.1 mt-10 -70.47 -49.21 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -59.58 -47.76 84.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.181 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 115' ' ' VAL . 88.2 t -65.53 -36.61 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.721 0.296 . . . . 0.0 110.407 178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -61.96 -37.25 84.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.275 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -61.77 -44.68 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.67 -43.59 98.56 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.553 HG22 ' HB1' ' A' ' 7' ' ' ALA . 60.5 t -65.67 -53.07 42.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.879 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.8 mt -57.61 -32.37 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.0 110.486 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.82 -49.29 71.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.345 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.33 -46.34 64.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.047 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 115' ' ' VAL . 27.9 t -64.27 -34.31 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.762 0.315 . . . . 0.0 110.631 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -69.35 -33.78 73.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.291 0.567 . . . . 0.0 109.977 175.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.6 m -69.38 -34.94 75.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.068 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.0 -1.98 34.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.14 7.19 9.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 0.0 111.487 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' O ' ' HB3' ' A' ' 125' ' ' HIS . 15.4 p80 -57.67 134.24 56.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.117 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 124' ' ' HIS . 32.5 t-80 75.29 -5.51 2.15 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.693 0.62 . . . . 0.0 111.151 -178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.467 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 30.2 t-80 -109.15 -7.7 15.26 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 122.102 -0.373 . . . . 0.0 110.979 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 33.7 m-70 73.4 122.59 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.559 0.537 . . . . 0.0 111.07 -178.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -107.88 147.35 31.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.167 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.32 -0.847 . . . . 0.0 109.544 176.601 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.813 0.339 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -96.81 113.81 25.39 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.555 HD12 HD23 ' A' ' 122' ' ' LEU . 21.5 pt -100.86 170.75 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.108 0.48 . . . . 0.0 110.885 -174.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -152.96 93.93 1.8 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.145 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 57.2 p -90.84 152.56 20.71 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.981 176.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 6.1 m -64.67 -30.92 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 110.102 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.02 75.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.313 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 5' ' ' THR . 12.7 pt-20 -70.19 -28.61 65.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.721 0.296 . . . . 0.0 111.084 -178.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 83.8 t -69.26 -52.1 36.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.384 177.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 38.4 m-85 -63.91 -36.4 83.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 110.432 175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.56 -38.02 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.612 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.54 -33.98 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.175 177.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 18' ' ' LEU . . . -60.93 -42.33 97.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -60.53 -47.08 87.76 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.154 173.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.89 -54.5 45.86 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.668 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.59 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 58.9 m-85 -70.7 -34.86 72.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.309 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -63.89 -35.21 79.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -79.31 -31.87 43.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.995 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 31.2 ttmt -69.95 -42.37 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.25 5.24 2.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.76 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 17' ' ' PHE . 11.2 t70 -98.2 140.61 32.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 110.763 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.46 -19.5 10.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.735 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.11 -58.94 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.363 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 83.7 mt-30 -72.82 -34.11 66.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.407 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -56.56 -42.05 77.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.747 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 48.8 t -62.45 -45.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.646 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -65.86 -33.04 74.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 5.3 mptp? -63.71 -53.57 49.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.512 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.747 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.1 p90 -73.1 -19.8 61.08 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.903 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -62.67 -47.54 83.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.849 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 31.2 mttm -71.37 -28.43 64.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.365 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.3 72.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.034 0.445 . . . . 0.0 110.223 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.81 -43.96 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.849 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.4 pt-20 -66.81 -36.68 82.95 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.761 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HG2' ' HB2' ' A' ' 6' ' ' SER . 35.0 tp10 -64.8 -37.75 88.65 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.099 177.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB1' ' HB2' ' A' ' 118' ' ' ALA . . . -58.63 -44.18 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.658 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.2 mm -59.08 -45.1 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.03 176.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 43' ' ' ILE . 3.6 tmtm? -54.35 -50.78 66.65 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.283 177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.62 -53.26 58.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.16 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD21 ' CD2' ' A' ' 117' ' ' PHE . 9.7 mp -56.42 -44.39 80.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.606 HG22 HD12 ' A' ' 47' ' ' LEU . 79.7 t -61.38 -38.14 79.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.729 -177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 39' ' ' LYS . 41.4 mm -65.29 -51.53 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -46.1 64.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.725 0.298 . . . . 0.0 111.512 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -78.86 -15.64 58.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.086 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.5 t30 65.08 90.93 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.356 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 50' ' ' ILE . 91.7 mt -106.31 96.99 6.85 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 171.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG2' ' ND2' ' A' ' 52' ' ' ASN . 39.1 ttmt -60.67 -43.66 97.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.709 -171.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -40.63 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.299 0.571 . . . . 0.0 110.399 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.607 HD13 ' HB3' ' A' ' 47' ' ' LEU . 2.8 mp -74.45 -47.89 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.672 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 p -65.37 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.716 0.293 . . . . 0.0 111.675 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 97.6 m-20 -69.62 -29.81 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -24.3 61.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.097 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ILE . 22.0 t -78.47 -10.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.547 0.689 . . . . 0.0 110.042 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 63.2 mttp -82.37 -15.69 51.86 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.174 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.31 -63.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.874 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -104.03 173.72 6.18 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.327 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -93.17 5.83 75.43 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.767 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -117.54 145.95 43.91 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.78 2.68 6.22 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.639 ' HB3' ' HG2' ' A' ' 63' ' ' GLU . 49.1 mttm 61.58 118.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.744 0.817 . . . . 0.0 112.739 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 p -60.65 -30.47 69.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.54 0.686 . . . . 0.0 110.018 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' HG2' ' HB3' ' A' ' 61' ' ' LYS . 9.3 pt-20 -66.48 -29.21 69.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.155 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' ND2' ' HB2' ' A' ' 61' ' ' LYS . 51.5 m-20 -71.64 -34.62 69.94 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 110.442 178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.36 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.103 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.88 -40.77 68.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.51 -52.02 67.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.537 0.684 . . . . 0.0 110.505 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.75 83.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.43 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.6 m -62.11 -32.9 73.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -67.45 -49.48 63.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.493 0.663 . . . . 0.0 109.688 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.31 -42.93 99.05 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.58 -11.38 60.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.653 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.1 tmt_? -62.13 -25.5 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.043 0.449 . . . . 0.0 110.04 177.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.8 t -66.52 -31.84 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.48 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -85.13 -52.93 5.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.085 0.469 . . . . 0.0 110.214 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 22.1 t-20 -139.6 117.57 11.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.631 178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -75.15 -7.0 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.245 -174.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 42.3 mt-10 -83.67 -30.34 26.9 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.384 0.135 . . . . 0.0 111.05 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 75.5 mt -50.29 -56.63 16.91 Favored Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 16.3 Cg_endo -57.74 -31.79 93.06 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.04 1.827 . . . . 0.0 112.583 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.3 mt -73.77 -38.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 110.549 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.4 mt -66.47 -43.71 84.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.062 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -60.93 -46.65 89.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.165 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 84' ' ' LYS . 14.6 tmtt? -54.7 -44.69 73.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.794 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.9 m -61.91 -44.62 96.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.476 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.91 -39.29 83.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.231 0.538 . . . . 0.0 110.36 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -59.08 -42.33 90.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.394 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.4 m -56.36 -47.49 78.76 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.356 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 70.6 mt -65.75 -40.87 92.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.004 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -63.97 -45.64 88.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.2 t -74.78 -37.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -95.43 -15.28 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -172.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.29 81.87 1.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.344 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -83.3 -78.94 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.695 0.283 . . . . 0.0 111.762 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -137.42 -54.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.699 ' HG3' HD22 ' A' ' 97' ' ' LEU . 13.8 pt-20 -100.91 -26.05 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.699 HD22 ' HG3' ' A' ' 96' ' ' GLU . 4.0 mm? -85.36 73.74 10.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.521 . . . . 0.0 109.742 174.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.2 m -94.88 23.29 5.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.268 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.0 mm? 44.77 -160.1 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.85 -175.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -116.41 156.61 26.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 -178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.98 -27.77 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.447 -177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -54.58 -47.18 73.62 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.193 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -74.3 -32.14 62.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.659 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.81 -44.27 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.878 0.371 . . . . 0.0 110.508 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.98 -28.52 69.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.811 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.86 -51.13 14.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.73 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.1 mm? -63.96 -36.91 85.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.621 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -34.29 73.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.212 0.53 . . . . 0.0 110.062 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.36 -36.77 58.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.339 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' HB3' HD22 ' A' ' 82' ' ' LEU . 56.9 m-20 -76.02 -26.76 56.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.329 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 30' ' ' TYR . 73.0 t -72.88 -34.25 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -58.01 -36.13 72.23 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 30.5 mmtp -54.55 -50.6 67.53 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.453 0.644 . . . . 0.0 109.732 175.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.32 -42.59 88.02 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.853 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 111' ' ' VAL . 97.7 t -62.63 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.189 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 91.7 mt -57.86 -37.09 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.681 0.277 . . . . 0.0 110.361 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.439 ' CD2' HD21 ' A' ' 41' ' ' LEU . 6.6 t80 -78.82 -36.48 42.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.273 -173.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.46 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -63.97 -49.74 71.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.66 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.7 t -66.24 -32.52 58.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.1 178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 18.5 t-20 -63.78 -33.28 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.314 177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -71.11 -24.32 62.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.555 HD23 HD12 ' A' ' 3' ' ' ILE . 10.2 tp -87.14 -43.53 12.19 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.341 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.5 -36.12 81.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.52 0.676 . . . . 0.0 110.343 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.465 ' C ' ' H ' ' A' ' 126' ' ' HIS . 11.8 t-160 -119.2 54.62 0.97 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.804 -177.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -75.74 34.91 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.685 0.755 . . . . 0.0 111.018 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 124' ' ' HIS . 64.2 t-80 -135.03 76.44 1.62 Allowed 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -81.41 122.78 27.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.32 0.581 . . . . 0.0 111.587 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -85.66 129.81 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.657 -0.687 . . . . 0.0 109.288 171.457 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -94.58 -40.06 10.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 -177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 4' ' ' SER . 3.5 mp -127.03 166.98 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.526 ' N ' HG22 ' A' ' 3' ' ' ILE . 6.3 p -135.65 84.73 2.11 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.37 0.605 . . . . 0.0 110.104 177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 HG21 HD21 ' A' ' 40' ' ' LEU . 1.9 m -90.32 168.31 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.32 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 5' ' ' THR . 5.9 p -51.92 -35.31 45.15 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.36 0.412 . . . . 0.0 111.864 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.79 -53.48 54.65 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.87 -33.85 76.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.323 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 5' ' ' THR . 61.2 t -63.01 -46.07 97.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.994 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.0 -35.46 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.931 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.0 t80 -62.71 -38.42 90.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.287 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 42.5 tt0 -59.3 -43.58 92.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.209 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.648 ' HB2' ' HD3' ' A' ' 29' ' ' LYS . 56.0 mt-10 -66.07 -40.1 90.59 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.248 176.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' TYR . . . -58.28 -43.52 88.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.906 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 23.0 mm-40 -59.49 -43.69 93.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.73 173.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 41.5 mm-40 -62.91 -40.97 99.2 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.12 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -79.14 -35.95 41.25 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.28 -27.99 64.85 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.58 -177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.5 p -83.68 -5.46 59.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.354 0.597 . . . . 0.0 110.153 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -103.44 -9.37 19.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.875 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.7 5.64 57.58 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.855 -0.612 . . . . 0.0 113.183 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.42 115.93 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.934 0.397 . . . . 0.0 110.161 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -87.56 -33.45 18.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.073 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.09 -54.29 25.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.489 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 49.5 mt-30 -69.04 -29.17 67.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.826 0.346 . . . . 0.0 110.825 -177.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.39 27.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.57 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 p -57.83 -37.12 73.25 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 44.4 mt-10 -67.71 -43.79 79.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.536 0.207 . . . . 0.0 111.283 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.671 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -81.44 -18.19 46.18 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.327 -178.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 7.9 m-85 -64.04 -41.31 97.44 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD1' ' HB1' ' A' ' 86' ' ' ALA . 75.4 t80 -64.73 -36.92 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.465 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HG2' ' HA ' ' A' ' 29' ' ' LYS . 28.4 mmmt -59.71 -48.23 82.52 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.353 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.869 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -51.16 59.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.656 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.537 ' HB2' HD13 ' A' ' 65' ' ' LEU . 16.5 pt-20 -67.19 -34.39 77.43 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 110.751 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 13.3 mm-40 -60.8 -48.76 80.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -32.92 71.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.594 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.7 mm -57.78 -46.69 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . 14.7 mtmm -60.29 -44.43 95.38 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 5' ' ' THR . 11.1 mp -55.99 -45.76 78.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.453 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.31 -40.56 96.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.294 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.8 t -64.92 -45.85 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' LYS . 70.6 mt -66.19 -40.43 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.216 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -66.72 -42.06 86.92 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.08 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.927 0.394 . . . . 0.0 110.729 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 56.98 58.52 3.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.552 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.35 101.02 2.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.502 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.589 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 61.4 tttp -61.12 -33.35 73.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.563 -174.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.87 -19.12 65.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.655 0.264 . . . . 0.0 111.294 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' ASN . 48.1 mm -99.37 -39.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.589 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 20.4 p -65.1 -34.94 79.59 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.669 0.271 . . . . 0.0 111.121 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -60.33 -31.39 70.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 95.0 m-20 -66.88 -49.12 66.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.573 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.52 -11.21 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.15 -26.67 61.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.467 0.651 . . . . 0.0 109.481 172.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.31 -48.17 4.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.339 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -77.42 141.85 39.55 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.754 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.58 -58.9 10.99 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -144.76 170.97 15.08 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.297 0.57 . . . . 0.0 111.155 -171.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -79.41 117.25 20.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.34 174.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -117.94 -68.63 0.9 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.14 0.495 . . . . 0.0 110.529 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 p -158.33 -49.76 0.06 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.351 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -54.18 -45.07 72.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.138 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.66 -39.08 87.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 35' ' ' GLU . 94.0 mt -73.31 -41.74 63.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.988 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -66.14 -37.55 85.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.441 . . . . 0.0 110.33 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -72.65 -43.46 63.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.298 0.57 . . . . 0.0 110.149 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.37 69.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.418 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 40.1 t -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.345 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -62.21 -42.97 99.79 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.4 mt -84.63 -153.81 0.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.0 mt 66.77 12.99 9.2 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.352 0.596 . . . . 0.0 110.746 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.04 -17.62 63.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.504 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.1 p -67.78 -26.08 65.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.606 174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -87.28 -50.49 6.55 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.823 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -166.49 146.48 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.799 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.8 t -81.22 -17.88 48.02 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.8 mt-10 -86.55 -3.94 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 42.9 mm -49.16 -54.66 26.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 12.1 Cg_endo -57.48 -29.66 85.48 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.384 2.056 . . . . 0.0 112.665 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 50.1 mt -77.53 -28.88 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.276 0.56 . . . . 0.0 110.32 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 67.4 mt -80.47 -40.86 25.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.341 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -64.44 -32.57 74.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 52.1 tptt -50.97 -45.7 60.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.502 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.9 m -60.3 -43.49 96.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.849 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HB1' ' HD1' ' A' ' 31' ' ' TYR . . . -63.99 -35.29 80.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.194 0.521 . . . . 0.0 110.664 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -72.8 -35.39 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 m -57.58 -36.13 71.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.897 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HG ' ' A' ' 107' ' ' LEU . 88.2 mt -62.09 -24.76 67.31 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -85.8 -33.47 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.87 -57.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.039 0.447 . . . . 0.0 110.32 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.34 39.34 1.16 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.298 0.571 . . . . 0.0 110.373 177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.665 ' HA2' ' HB2' ' A' ' 97' ' ' LEU . . . -152.09 -135.52 2.27 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 81.9 t80 71.94 -54.47 0.68 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.427 0.691 . . . . 0.0 111.798 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -80.03 -82.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.83 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' H ' HD22 ' A' ' 97' ' ' LEU . 32.2 tt0 -155.61 25.91 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 109.819 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.665 ' HB2' ' HA2' ' A' ' 93' ' ' GLY . 2.9 mm? -79.86 105.32 11.06 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 t -70.68 -13.54 62.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.45 -172.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt 62.92 -169.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.059 0.457 . . . . 0.0 111.511 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.1 m120 -134.2 143.56 47.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.7 -45.72 93.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.98 -48.44 67.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -172.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.73 -20.1 40.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.95 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' ASN . 69.6 t -74.15 -33.47 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.48 176.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -61.31 -28.15 69.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.604 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -59.28 -39.24 82.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.62 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.9 mm? -58.25 -34.24 70.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -56.57 -42.96 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.717 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -81.64 -37.07 28.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.865 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.13 -47.34 83.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.439 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.0 t -67.99 -36.66 76.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -60.85 -41.43 95.86 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -53.61 -49.68 67.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.21 -47.88 84.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.617 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 119' ' ' VAL . 63.9 t -63.57 -51.47 69.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.309 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.45 -33.66 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.317 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -43.55 72.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.646 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 122' ' ' LEU . . . -70.6 -44.94 66.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.344 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' VAL . 53.1 t -65.23 -35.73 76.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.688 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.8 -30.15 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.284 0.564 . . . . 0.0 110.024 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -76.91 -30.29 56.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.813 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 118' ' ' ALA . 93.0 mt -55.49 -43.69 75.85 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -98.58 62.6 1.42 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.424 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -51.1 108.58 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.506 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -124.78 10.64 8.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.133 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -126.98 16.36 7.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.777 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -72.99 97.73 2.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.235 0.54 . . . . 0.0 109.825 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 75.5 t60 178.96 -32.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.468 172.062 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.878 0.37 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -112.01 113.56 25.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 pt -123.33 177.71 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.722 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.4 m -150.52 91.68 1.77 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.311 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' VAL . 72.8 p -76.37 152.59 36.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 20.9 p -53.68 -47.53 70.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.152 -178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.61 -50.97 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.33 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 5' ' ' THR . 15.4 pt-20 -69.42 -28.95 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.674 0.273 . . . . 0.0 110.739 -176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' THR . 75.8 t -68.57 -49.54 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 6' ' ' SER . 25.1 m-85 -60.79 -37.42 81.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.712 0.291 . . . . 0.0 110.685 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.96 -43.02 99.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.63 -37.54 86.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.453 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.3 -36.12 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.23 -44.98 93.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.223 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -63.49 -34.41 77.72 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.41 -42.58 92.37 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.538 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -70.07 -32.22 70.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.732 0.301 . . . . 0.0 110.776 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -64.52 -35.18 80.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.931 0.396 . . . . 0.0 110.012 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -74.41 -31.69 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.285 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.17 -42.14 99.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.53 175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.34 22.45 5.17 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.906 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.24 130.69 56.91 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.66 -19.29 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.899 0.381 . . . . 0.0 111.252 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.3 t -77.75 -57.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.954 0.407 . . . . 0.0 111.038 -174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.74 -27.53 63.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.128 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.0 91.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 30' ' ' TYR . 48.0 t -65.77 -26.05 67.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -45.43 49.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -66.67 -42.76 86.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.347 0.594 . . . . 0.0 109.811 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.662 ' HE2' HD11 ' A' ' 89' ' ' LEU . 12.9 t80 -56.46 -43.46 79.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.762 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.22 -40.89 97.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 110.952 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.9 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 54.4 mtmt -67.83 -28.89 67.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.39 -35.47 80.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.31 -44.97 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.636 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.9 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 8.8 pt-20 -58.61 -45.5 89.01 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.78 0.324 . . . . 0.0 111.382 -174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.749 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 5.7 mt-10 -72.33 -34.61 68.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.423 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.681 0.277 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 42' ' ' VAL . 48.1 mm -64.44 -49.7 79.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.398 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.749 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.5 pttp -68.37 -33.68 74.71 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.03 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 36' ' ' GLU . 6.3 mp -56.14 -44.2 78.97 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 172.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 37' ' ' ALA . 82.5 mt -70.2 -37.01 74.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.548 -177.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 68' ' ' ALA . 59.9 t -65.04 -43.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.57 -44.82 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.785 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 1.003 ' HG3' ' HB3' ' A' ' 121' ' ' SER . 2.1 tm-20 -60.79 -44.21 97.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.752 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -75.61 -5.16 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.675 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 t30 62.45 34.03 15.75 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.322 0.582 . . . . 0.0 110.765 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HB2' HG13 ' A' ' 42' ' ' VAL . 72.6 mt -81.26 84.05 6.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.336 0.589 . . . . 0.0 110.329 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.33 -10.95 60.46 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.787 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -39.6 66.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.161 0.505 . . . . 0.0 110.252 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.9 mm -91.4 -36.6 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.6 m -56.0 -45.54 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.917 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -73.76 -18.89 60.92 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.249 0.547 . . . . 0.0 110.237 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -79.64 -28.36 40.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.067 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 50' ' ' ILE . 59.9 t -67.36 -7.14 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.866 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -62.04 -15.35 43.96 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.368 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -47.83 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.263 0.554 . . . . 0.0 110.002 173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -102.37 -169.34 1.65 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.106 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.09 -0.28 35.69 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.227 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 5.8 tpt180 -175.98 -170.86 0.41 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -98.33 169.61 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -171.65 -53.21 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.7 p -145.85 -65.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -50.7 -49.48 57.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.161 0.505 . . . . 0.0 111.494 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.12 -28.04 69.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.758 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 38' ' ' ILE . 89.3 mt -74.15 -38.11 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.929 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -64.44 -34.74 78.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.036 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -75.83 -40.65 54.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.319 0.581 . . . . 0.0 110.132 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 42' ' ' VAL . . . -57.42 -42.31 82.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.97 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 p -64.63 -24.98 67.76 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -59.72 -42.69 93.64 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 73' ' ' ARG . 80.1 mt -81.09 -157.45 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.011 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.7 mt 67.4 -6.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.959 0.503 . . . . 0.0 111.589 -178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.5 ttt180 -67.31 -15.48 63.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.852 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 m -65.55 -27.7 68.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.753 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -86.95 -44.18 11.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.564 ' HB3' HG13 ' A' ' 79' ' ' ILE . 43.8 t-20 -163.11 134.1 4.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.312 -177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.541 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 37.4 p -74.29 -16.44 60.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 0.0 111.803 -177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 51.4 mt-10 -80.16 -16.39 54.98 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.9 mt -56.22 -55.69 39.26 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 10.2 Cg_endo -55.17 -35.34 90.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.318 2.012 . . . . 0.0 112.42 177.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.81 -41.5 85.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.826 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 80.0 mt -63.27 -46.59 86.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.681 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.3 -45.1 94.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.283 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -57.09 -38.8 73.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.899 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.616 ' HB2' HD11 ' A' ' 107' ' ' LEU . 19.9 m -66.94 -44.82 79.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . . . -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.023 0.44 . . . . 0.0 110.277 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 91' ' ' VAL . 70.5 t-105 -55.69 -50.78 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.412 172.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 m -56.11 -49.22 74.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.14 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.662 HD11 ' HE2' ' A' ' 30' ' ' TYR . 2.8 pp -70.76 -23.98 62.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.563 ' N ' HD12 ' A' ' 89' ' ' LEU . 37.7 t60 -85.88 -24.8 26.52 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.65 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' TRP . 72.1 t -64.04 -54.23 34.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.446 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.623 ' HG3' ' HB2' ' A' ' 96' ' ' GLU . 41.6 tt0 54.84 79.17 0.15 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 123.72 0.637 . . . . 0.0 110.234 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.36 15.76 1.29 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.56 -173.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . 77.0 t80 -117.18 -72.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.151 0.475 . . . . 0.0 110.499 177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -151.52 28.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.566 0.698 . . . . 0.0 109.158 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.623 ' HB2' ' HG3' ' A' ' 92' ' ' GLU . 3.6 mp0 -82.67 102.17 11.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.699 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.7 mm? -91.22 79.22 5.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 173.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.4 m 66.37 20.11 10.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.923 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.9 mt 69.11 171.23 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.232 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 104' ' ' VAL . 38.8 m-80 -105.39 147.92 27.68 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.82 -40.88 96.82 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 106' ' ' LYS . 25.3 ttmm -56.17 -49.22 74.63 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.213 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.64 -39.01 92.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.185 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 100' ' ' ASN . 67.6 t -65.75 -43.75 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.454 178.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 94.9 mttt -71.2 -29.32 65.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.825 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 40.1 mtpt -69.24 -56.32 7.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.126 0.488 . . . . 0.0 109.823 172.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 85' ' ' SER . 0.3 OUTLIER -60.5 -34.92 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.067 -175.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.665 ' HD2' ' HG3' ' A' ' 109' ' ' GLU . 2.9 pptp? -62.13 -33.59 74.77 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.083 -177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 108' ' ' LYS . 34.5 mt-10 -83.05 -26.99 30.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.197 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.8 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 9.9 m-20 -63.61 -45.67 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 109.772 172.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 115' ' ' VAL . 65.0 t -69.09 -31.35 49.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.508 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 116' ' ' ILE . 31.7 ttt180 -61.26 -34.9 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 9.8 mtpp -60.11 -41.06 91.77 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.426 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.42 -41.33 85.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 111' ' ' VAL . 90.9 t -62.27 -51.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.665 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.636 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 82.1 mt -57.24 -35.0 47.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -73.8 -44.18 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.096 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.01 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 98.3 t -64.43 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 176.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.636 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.2 t-20 -60.47 -31.62 70.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.505 0.669 . . . . 0.0 110.009 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 1.003 ' HB3' ' HG3' ' A' ' 44' ' ' GLU . 66.3 m -72.42 -31.21 65.31 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.124 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.66 -6.64 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.111 177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 119' ' ' VAL . 44.3 mt-10 -83.46 28.04 0.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.801 173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 45.7 t60 60.38 85.24 0.11 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -171.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -57.37 -49.68 75.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.569 -166.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 127' ' ' HIS . 3.4 t-80 73.28 169.27 0.31 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.731 0.644 . . . . 0.0 109.963 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 126' ' ' HIS . 24.7 m80 70.4 90.02 0.1 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.261 0.553 . . . . 0.0 110.709 -176.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -87.57 128.93 35.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.768 -178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.3 p80 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.852 -0.595 . . . . 0.0 110.213 174.78 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.321 0.581 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -90.16 109.79 20.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.012 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -100.61 166.46 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 m 60.21 95.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.566 0.698 . . . . 0.0 110.169 -171.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.645 HG21 HD21 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -81.08 167.34 19.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.304 -173.023 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -50.71 -44.82 58.16 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.995 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.97 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.69 -37.22 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.33 -50.93 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.118 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -60.46 -41.69 94.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.422 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' HE2' HH11 ' A' ' 112' ' ' ARG . 57.9 t80 -67.95 -34.98 77.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.56 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.7 tt0 -64.75 -47.51 77.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.972 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.93 -38.38 88.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.772 0.32 . . . . 0.0 110.452 175.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.46 -48.14 81.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.397 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -59.6 -40.57 87.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.52 175.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 6.1 mm-40 -62.94 -53.1 59.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.019 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -65.11 -36.75 85.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.49 -28.75 69.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.918 0.39 . . . . 0.0 110.466 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -81.76 -17.81 46.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.374 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -79.11 -40.21 31.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.57 -6.51 7.98 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.244 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.32 114.06 26.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.326 0.584 . . . . 0.0 110.883 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.13 -30.26 60.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.869 -175.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.54 ' HB ' ' OE1' ' A' ' 25' ' ' GLN . 45.5 t -64.38 -58.51 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 111.202 -174.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.54 ' OE1' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -61.34 -30.77 70.72 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 179.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.57 -51.18 24.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.192 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.24 -38.91 81.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -57.26 -42.56 81.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.731 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 46.6 mmtm -71.03 -35.37 71.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HG21 ' A' ' 111' ' ' VAL . 51.2 m-85 -63.64 -42.81 98.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 0.0 110.329 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -61.95 -48.55 79.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 20.2 mtpp -71.84 -27.96 63.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.742 -177.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.96 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.776 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -44.33 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.243 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.8 pt-20 -64.95 -38.9 92.5 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 110.716 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.985 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.32 -47.82 82.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.847 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.4 mm -61.67 -43.14 96.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.026 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -56.29 -49.12 75.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.997 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HG21 ' A' ' 5' ' ' THR . 8.7 mp -59.5 -45.55 91.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.724 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD13 ' A' ' 72' ' ' LEU . 5.6 mp -57.82 -44.11 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.86 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -57.37 -44.8 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.842 0.353 . . . . 0.0 111.108 -178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.97 -43.93 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.321 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 122' ' ' LEU . 8.6 mm-40 -75.71 -27.54 58.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -82.92 -8.51 59.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.622 0.249 . . . . 0.0 110.565 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 t30 60.29 46.03 10.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.752 0.787 . . . . 0.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 72' ' ' LEU . 85.3 mt -79.15 83.65 5.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.154 177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 80.3 tttt -68.73 -30.7 69.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.709 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -57.65 -41.8 82.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.192 0.52 . . . . 0.0 110.539 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.29 -41.99 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.735 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.538 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 2.7 p -70.43 -23.59 62.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.57 -178.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.638 ' HA ' ' HD3' ' A' ' 55' ' ' LYS . 83.0 m-20 -69.91 -28.47 65.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.834 0.349 . . . . 0.0 110.673 173.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -20.68 59.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.223 0.535 . . . . 0.0 110.38 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 t -98.25 7.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.854 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HD3' ' HA ' ' A' ' 52' ' ' ASN . 13.7 tptt -58.59 -36.97 74.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.581 0.705 . . . . 0.0 110.224 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -88.08 -21.96 24.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.962 -174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.936 ' HE3' ' HD2' ' A' ' 61' ' ' LYS . 71.3 mmtt -90.19 168.74 11.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.21 -0.904 . . . . 0.0 112.048 -174.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.26 -15.77 4.52 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.26 175.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -132.59 145.52 51.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -66.33 126.78 29.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.859 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.936 ' HD2' ' HE3' ' A' ' 57' ' ' LYS . 56.4 mtpt -80.39 136.21 36.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.136 177.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.659 ' HA ' HD12 ' A' ' 65' ' ' LEU . 4.1 m -59.63 -32.1 70.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.335 0.588 . . . . 0.0 110.106 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -68.34 -42.05 79.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.381 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -65.03 -34.28 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.447 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 62' ' ' SER . 95.2 mt -61.84 -36.69 81.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.842 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 83' ' ' TRP . 82.8 t80 -71.28 -36.78 71.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.099 0.476 . . . . 0.0 110.246 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.62 -50.1 74.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.269 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.83 70.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB3' HD12 ' A' ' 38' ' ' ILE . 14.2 p -64.49 -31.5 72.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.273 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 80' ' ' PRO . 48.8 tttm -59.53 -46.63 88.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.326 0.584 . . . . 0.0 110.086 177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.02 -34.39 77.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.215 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 47' ' ' LEU . 84.1 mt -70.26 3.04 3.13 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.205 -176.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 2.5 tmt_? -61.55 -26.19 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.624 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -69.4 -27.09 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.562 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -81.87 -54.11 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 78' ' ' GLU . 13.7 t30 -149.41 125.34 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.1 p -65.45 -25.14 67.38 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.4 mt-10 -63.97 -36.18 83.13 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 71.1 mt -48.37 -57.74 9.92 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -168.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.753 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 28.0 Cg_endo -61.99 -32.66 84.37 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.841 1.694 . . . . 0.0 112.545 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.16 -43.6 37.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.52 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 85.9 mt -59.31 -48.45 81.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 66' ' ' PHE . 71.0 t-105 -65.77 -38.38 88.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.249 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.25 -48.07 81.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.713 0.292 . . . . 0.0 110.825 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 m -59.31 -42.88 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.117 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.94 -42.23 90.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.493 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 61.8 t-105 -60.63 -39.47 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.208 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.9 m -58.68 -34.31 71.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.231 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 ' HG ' ' A' ' 107' ' ' LEU . 87.1 mt -60.87 -37.67 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.44 . . . . 0.0 110.67 179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.04 -33.54 26.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.485 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 87' ' ' TRP . 95.6 t -65.83 -34.37 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.406 176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.09 -81.26 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.45 43.7 7.76 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 123.756 0.66 . . . . 0.0 113.809 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -54.95 -46.06 74.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.177 -176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -153.72 -76.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.669 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.72 135.81 38.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.207 -178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.25 82.64 6.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.045 0.45 . . . . 0.0 109.978 177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.4 t -149.37 -52.11 0.16 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.484 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 98.3 mt 62.19 -162.83 0.27 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.283 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -92.31 141.51 28.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.969 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 105' ' ' LYS . 43.5 tt0 -59.98 -36.38 77.02 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.34 -47.17 66.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.394 -1.275 . . . . 0.0 111.374 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.35 -50.23 19.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.771 -176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.39 -31.52 46.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.767 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 11.4 ttmm -54.29 -40.99 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.483 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -74.01 -40.76 62.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.344 . . . . 0.0 110.723 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.858 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -64.99 -34.09 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.933 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -54.92 -38.95 68.29 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.061 0.458 . . . . 0.0 110.29 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 0.8 OUTLIER -72.75 -32.17 65.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -78.04 -31.9 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.333 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 30' ' ' TYR . 57.6 t -68.28 -33.14 58.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.544 HH11 ' HE2' ' A' ' 11' ' ' TYR . 23.6 tpt180 -58.7 -38.95 79.39 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.714 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 26.9 mmtp -56.68 -54.9 40.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.035 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 82' ' ' LEU . 6.6 mp -60.21 -46.23 90.45 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.4 -174.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 119' ' ' VAL . 59.6 t -64.93 -47.55 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.225 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 70.8 mt -63.57 -35.33 72.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.98 -41.78 70.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.612 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -63.82 -47.96 78.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.714 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 115' ' ' VAL . 35.1 t -65.27 -35.84 76.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.061 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 2.2 t-20 -63.79 -37.41 87.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.953 175.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 73.4 m -63.41 -40.79 98.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.776 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 44' ' ' GLU . 10.1 mp -75.14 -77.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.444 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 120' ' ' ASN . 31.5 mt-10 48.18 50.98 15.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.774 0.797 . . . . 0.0 109.98 -170.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -83.59 40.85 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.126 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -82.19 58.89 4.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.37 -173.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 7.0 t60 68.55 -72.64 0.1 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.122 0.569 . . . . 0.0 111.858 173.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -154.37 142.4 20.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -73.72 119.57 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.222 -0.895 . . . . 0.0 109.445 173.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.511 0.196 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.406 ' HB2' HD13 ' A' ' 3' ' ' ILE . 3.2 m -78.18 -49.64 13.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.38 0.609 . . . . 0.0 109.604 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.832 HG13 HD13 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -137.97 172.87 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.401 177.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 p -144.05 88.33 1.96 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.172 0.51 . . . . 0.0 110.534 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -96.61 174.4 6.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.454 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -57.24 -34.49 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.341 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -55.88 -53.17 60.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.253 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -61.85 -51.08 69.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.985 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.49 -51.45 72.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.413 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 26.4 m-85 -66.57 -36.76 83.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.601 -177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -68.17 -35.89 78.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.208 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 tt0 -70.4 -37.56 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.421 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 40.3 mt-10 -65.41 -32.55 74.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 110.658 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.385 0.612 . . . . 0.0 109.788 173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.03 -32.98 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.658 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 51.1 mm-40 -63.46 -53.42 52.41 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.287 0.565 . . . . 0.0 110.931 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 54.6 m-85 -70.34 -27.39 64.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.41 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.3 tp -57.42 -42.01 81.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.478 . . . . 0.0 110.241 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -76.79 -24.85 52.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.546 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -73.44 -29.58 62.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.727 174.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.22 11.52 58.44 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.378 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.55 83.45 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 98' ' ' SER . 92.1 mt -72.21 -29.64 64.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.133 -171.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.75 -48.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.301 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -65.9 -39.95 91.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.143 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' PHE . . . -60.7 -45.61 93.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.85 177.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.655 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 42.1 t -57.68 -48.15 80.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.103 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.82 -32.15 73.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.04 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 69.1 mmtt -60.97 -60.21 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.763 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.655 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 47.1 p90 -75.45 -15.55 60.42 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.998 -177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -63.34 -51.19 67.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.158 0.504 . . . . 0.0 109.922 171.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.732 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 57.2 mtmt -71.2 -27.93 63.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.821 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB2' ' CB ' ' A' ' 10' ' ' TYR . . . -57.95 -34.36 69.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.088 0.471 . . . . 0.0 110.267 172.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB2' HG13 ' A' ' 111' ' ' VAL . . . -74.17 -47.13 37.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.549 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.0 pt-20 -68.44 -35.7 77.98 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.911 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 3.8 mm-40 -62.83 -38.32 90.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.463 173.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.78 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.421 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.0 mm -55.04 -44.05 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HE2' HD12 ' A' ' 40' ' ' LEU . 4.7 tmmm? -53.7 -45.41 70.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.262 176.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HE2' ' A' ' 39' ' ' LYS . 5.9 mp -60.35 -46.31 90.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.868 176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 10.9 mp -64.04 -34.08 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.833 0.349 . . . . 0.0 111.715 -177.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 38' ' ' ILE . 94.9 t -63.07 -35.17 70.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.43 176.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.54 -47.88 43.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.541 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 4.1 pt-20 -64.06 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 49.7 m-80 -83.8 -12.44 55.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.478 179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 54.17 71.62 0.51 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.48 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' HB2' HG13 ' A' ' 42' ' ' VAL . 92.9 mt -85.47 85.34 7.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.355 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.506 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 76.8 tttt -69.85 -26.16 64.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.51 -173.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 58.0 mm-40 -72.68 -15.22 61.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.929 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 53' ' ' ASN . 45.4 mm -99.7 -35.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.432 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 19.5 p -66.89 -44.32 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.164 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 49' ' ' GLU . 4.5 p30 -70.01 -17.95 63.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.244 0.545 . . . . 0.0 109.802 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.499 ' HB3' ' O ' ' A' ' 50' ' ' ILE . 25.7 t-20 -72.17 -25.12 61.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.114 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 50' ' ' ILE . 4.8 t -95.19 1.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.393 0.616 . . . . 0.0 110.207 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' LYS . 11.8 tptm -70.62 -13.76 62.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.286 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -86.96 -38.11 16.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.879 0.371 . . . . 0.0 110.975 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 8.8 mmpt? -82.85 -178.95 7.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.149 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.05 -23.39 9.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.858 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -145.77 173.77 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -63.2 131.9 49.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.004 0.43 . . . . 0.0 111.226 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 tttt -108.3 149.99 27.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.476 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 m -60.04 -38.38 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.58 -37.87 76.7 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.987 0.422 . . . . 0.0 111.052 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.25 -35.09 75.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.394 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.1 mt -63.42 -38.48 91.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.569 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -72.01 -40.03 68.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.03 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.54 -43.65 93.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.299 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -66.96 -49.98 63.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -60.29 -31.67 70.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.315 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -59.55 -50.54 73.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.065 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.29 -33.39 75.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.512 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -65.8 -4.69 7.04 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -60.57 -26.25 66.79 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 110.43 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -72.19 -26.6 62.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -80.84 -47.67 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.495 ' HB3' ' CD1' ' A' ' 79' ' ' ILE . 25.2 t-20 -161.13 140.04 10.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.117 176.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.472 ' O ' ' HD2' ' A' ' 80' ' ' PRO . 3.7 m -72.62 -21.73 61.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.746 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 47.4 mt-10 -73.95 -29.9 62.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.576 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 2.5 mp -52.29 -54.44 41.74 Favored Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 40.3 Cg_exo -58.28 -27.33 80.47 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.961 1.774 . . . . 0.0 112.3 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.3 mt -77.65 -45.72 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 30.6 mt -58.93 -41.7 87.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.0 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -66.8 -35.48 80.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.445 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -64.83 -39.3 93.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 m -59.64 -47.03 87.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.943 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.126 0.489 . . . . 0.0 110.688 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.3 t-105 -60.75 -40.04 90.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.2 m -60.88 -52.35 65.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.974 HD23 ' HG ' ' A' ' 107' ' ' LEU . 3.0 pp -66.07 -24.1 66.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.844 0.354 . . . . 0.0 111.444 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.548 ' N ' HD12 ' A' ' 89' ' ' LEU . 75.6 t60 -70.37 -40.5 73.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.056 0.455 . . . . 0.0 110.053 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.4 t -74.69 -27.8 21.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.313 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.66 -2.21 0.33 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -173.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.19 69.3 2.75 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.682 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -125.55 84.85 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.6 t60 66.31 19.46 11.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.131 -0.941 . . . . 0.0 112.046 169.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.805 ' HG2' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -87.89 166.97 14.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.097 -179.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.97 80.31 1.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 23' ' ' LEU . 41.4 m 65.59 37.12 6.11 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 123.868 0.73 . . . . 0.0 110.553 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.805 HD23 ' HG2' ' A' ' 96' ' ' GLU . 92.8 mt 58.17 -158.83 0.28 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.532 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -119.65 152.4 37.15 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 170.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 2.4 tm-20 -67.78 -42.47 81.62 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.988 -171.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -56.81 -40.36 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.386 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.98 -41.16 95.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.328 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.97 -41.66 90.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.709 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 9.3 mmmm -59.72 -38.04 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.451 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -74.9 -43.3 55.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.608 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.974 ' HG ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -66.38 -45.15 81.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.736 -174.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.48 -21.73 66.67 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.34 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CD ' HH21 ' A' ' 112' ' ' ARG . 7.1 tp10 -69.4 -47.75 63.21 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.298 0.571 . . . . 0.0 109.929 174.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 8.3 t70 -68.19 -36.44 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.891 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 34' ' ' ALA . 96.1 t -67.93 -33.6 62.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.421 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.588 ' O ' HG12 ' A' ' 116' ' ' ILE . 21.4 ttp180 -60.58 -35.32 75.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.188 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 47.2 mttm -53.45 -45.93 69.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.951 174.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -65.38 -43.0 92.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.059 -179.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 7' ' ' ALA . 57.6 t -62.92 -45.17 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.973 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.588 HG12 ' O ' ' A' ' 112' ' ' ARG . 47.1 mm -55.78 -36.75 44.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.468 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -69.29 -45.58 69.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.131 -175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.86 92.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 122' ' ' LEU . 48.4 t -69.11 -31.53 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.978 0.418 . . . . 0.0 110.659 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -61.7 -36.25 80.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.501 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -31.55 68.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.76 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.832 HD13 HG13 ' A' ' 3' ' ' ILE . 86.4 mt -66.39 -30.24 70.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -103.78 62.16 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 0.0 109.884 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.49 34.58 0.27 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.537 -176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -57.22 -36.99 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -94.22 -28.81 15.42 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.689 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 83.1 t60 57.57 82.39 0.13 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.578 0.549 . . . . 0.0 110.983 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 61.72 -167.7 0.19 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 117.719 -1.134 . . . . 0.0 108.45 170.409 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -77.17 142.57 39.58 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -112.59 165.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.102 0.477 . . . . 0.0 110.62 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.5 t -166.79 92.09 0.44 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.788 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.1 p -103.21 164.6 11.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.883 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 3.2 m -53.06 -42.14 65.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -53.66 55.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.31 -47.28 75.84 Favored 'General case' 0 C--N 1.333 -0.125 0 O-C-N 123.243 0.339 . . . . 0.0 111.405 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 5' ' ' THR . 93.3 t -58.2 -55.06 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.607 -178.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.03 -35.64 78.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.661 -177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -66.38 -34.85 78.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 110.068 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.99 -39.05 72.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.676 178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.14 -33.56 76.05 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.329 176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.03 87.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.18 -37.7 83.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.198 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -61.42 -53.21 59.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.786 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.92 -28.94 60.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.634 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.49 -34.67 78.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.051 0.453 . . . . 0.0 110.378 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.3 m -74.34 -23.36 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.531 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.48 -27.03 55.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.93 0.77 27.13 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.954 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.96 108.1 19.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.92 0.39 . . . . 0.0 110.153 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -78.57 -24.62 45.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.099 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.3 -54.29 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.044 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 74.9 mt-30 -68.19 -31.3 70.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.446 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.18 98.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.915 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.643 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 89.0 m -61.15 -48.18 82.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.59 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.38 -32.48 73.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.075 0.464 . . . . 0.0 110.405 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 25' ' ' GLN . 74.0 mmtt -63.04 -57.66 9.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.37 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.643 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 10.8 p90 -74.31 -18.22 60.73 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.958 -177.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -63.89 -51.27 65.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 171.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.765 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 13.8 tttm -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.166 -178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.26 65.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.055 0.455 . . . . 0.0 110.294 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.542 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -73.33 -49.3 28.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.106 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 9.7 pt-20 -65.33 -36.95 85.6 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.749 -178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 16.9 mm-40 -59.15 -47.98 83.31 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.28 85.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.996 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 34' ' ' ALA . 42.1 mm -60.37 -49.6 83.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 18.8 pttp -65.13 -32.97 74.93 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 5.6 mp -62.45 -53.02 61.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.972 172.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.715 HD21 ' HA ' ' A' ' 118' ' ' ALA . 82.1 mt -57.95 -37.98 75.14 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' ILE . 92.5 t -61.57 -42.62 94.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.819 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.2 mt -73.6 -37.42 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.989 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 30.4 mm-40 -59.69 -49.04 79.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.049 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -78.93 -13.89 59.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.451 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.0 t30 57.81 74.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.439 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HB2' HG13 ' A' ' 42' ' ' VAL . 90.5 mt -97.0 96.14 8.29 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.808 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.658 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 74.8 tttt -71.62 -16.94 62.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.575 -176.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -56.94 -36.88 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.012 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.1 mm -94.86 -33.3 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.658 ' OG1' ' HA ' ' A' ' 48' ' ' LYS . 22.4 p -68.1 -36.43 79.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.835 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 48' ' ' LYS . 82.1 m-20 -71.63 -19.1 62.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.157 0.504 . . . . 0.0 110.392 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.54 -40.86 41.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.498 177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 50' ' ' ILE . 6.6 t -85.93 8.15 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.093 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 tptm -63.16 -14.24 46.48 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.9 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -67.03 -49.14 66.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.203 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 59' ' ' ARG . 45.1 mttt -105.35 -166.59 1.23 Allowed 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.522 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.2 13.41 7.49 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 168.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' H ' ' HB3' ' A' ' 57' ' ' LYS . 20.4 ttt180 -141.41 146.61 36.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -71.44 162.31 29.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.302 0.573 . . . . 0.0 111.868 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -139.06 162.99 33.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.254 175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -50.08 -48.46 53.14 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.534 0.733 . . . . 0.0 112.859 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.95 -33.15 70.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -73.97 -33.98 64.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.626 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -69.19 -45.44 69.95 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.83 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -65.55 -47.42 75.91 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.39 -42.53 78.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.405 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 80' ' ' PRO . 27.8 t -66.06 -30.47 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.988 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.1 -49.32 74.9 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.381 0.61 . . . . 0.0 109.797 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.22 -33.68 71.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.203 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 98.9 mt -68.7 -1.19 6.39 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.974 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.593 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 28.0 ttp180 -64.07 -26.78 68.71 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.087 0.47 . . . . 0.0 110.048 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.9 t -62.5 -27.07 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.648 176.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 12.4 m120 -78.9 -56.63 4.25 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.488 ' HB3' HG12 ' A' ' 79' ' ' ILE . 43.9 t30 -150.74 137.32 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.299 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.593 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 6.1 m -61.44 -27.73 68.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.859 -176.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.6 mt-10 -73.67 -23.86 59.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.488 HG12 ' HB3' ' A' ' 76' ' ' ASN . 50.4 mm -52.52 -58.9 10.01 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 22.6 Cg_endo -61.48 -28.66 83.82 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.154 1.903 . . . . 0.0 112.439 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.4 mm -72.39 -46.21 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 79.2 mt -61.36 -43.66 98.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.999 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CH2' ' HB3' ' A' ' 35' ' ' GLU . 60.2 t-105 -60.23 -50.9 71.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.928 177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -59.89 -36.5 77.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.072 0.463 . . . . 0.0 111.021 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -67.81 -40.66 83.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.57 -39.58 70.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.045 0.45 . . . . 0.0 110.394 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 74.6 t-105 -56.29 -37.74 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.503 177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.1 m -54.66 -44.15 73.01 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.271 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.314 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -69.23 -26.12 64.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.315 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' TRP . 71.4 t -72.51 -53.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.19 -38.1 72.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.089 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.57 -32.5 71.23 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.175 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -65.39 -30.34 71.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 110.548 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -83.11 -49.1 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.103 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -131.42 118.21 19.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.369 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.36 75.79 2.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.075 0.464 . . . . 0.0 110.514 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 63.2 m -149.49 63.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 99' ' ' LEU . 2.9 mm? -73.77 128.15 34.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.924 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 104' ' ' VAL . 16.6 m120 -82.43 147.78 28.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.193 0.52 . . . . 0.0 111.302 -176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.99 -40.59 98.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.322 -174.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -54.44 -36.59 64.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.043 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -83.29 -30.44 27.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.609 HG22 ' SG ' ' A' ' 27' ' ' CYS . 61.4 t -59.85 -49.39 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.567 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -66.9 -33.21 75.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.748 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -67.3 -58.03 5.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.4 mm? -64.39 -33.77 76.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.266 -174.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -55.97 -39.32 71.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.621 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.28 -39.43 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.601 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.919 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 4.3 m-20 -61.59 -43.05 99.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.776 0.322 . . . . 0.0 111.057 176.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 115' ' ' VAL . 69.4 t -66.58 -34.05 67.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.513 176.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.0 ttt180 -62.03 -35.44 78.57 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HD3' ' HA ' ' A' ' 110' ' ' ASP . 22.6 mtpp -58.18 -34.72 70.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.119 0.485 . . . . 0.0 110.563 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 42.8 tp -77.03 -44.13 31.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.042 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 111' ' ' VAL . 93.9 t -59.23 -42.28 86.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.437 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 112' ' ' ARG . 77.8 mt -55.2 -34.64 33.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.678 0.275 . . . . 0.0 110.953 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 75' ' ' ASN . 36.4 t80 -77.43 -41.92 38.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.004 0.43 . . . . 0.0 110.029 -178.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.715 ' HA ' HD21 ' A' ' 41' ' ' LEU . . . -60.82 -47.57 85.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.915 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 39.9 t -68.66 -31.33 50.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.515 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 10.6 t-20 -61.41 -28.05 68.98 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.168 0.509 . . . . 0.0 110.612 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 t -70.8 -27.58 64.0 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.339 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 119' ' ' VAL . 11.1 mp -67.08 -20.68 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.388 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.73 -6.16 49.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.942 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 63.31 29.71 15.73 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 122.102 0.953 . . . . 0.0 108.745 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -90.06 -37.43 14.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.63 -1.168 . . . . 0.0 112.572 -169.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.4 m80 58.06 -94.54 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 122.592 0.357 . . . . 0.0 110.606 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -165.18 167.12 18.41 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -119.83 -25.89 5.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.83 0.348 . . . . 0.0 110.558 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.61 175.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -114.45 -48.93 2.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.8 pt -135.03 -175.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.868 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m 71.08 51.17 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.791 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 9' ' ' VAL . 38.4 p -73.7 170.09 15.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.881 177.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -56.04 -38.73 70.97 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.783 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.75 94.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.995 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.51 -41.53 94.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 5' ' ' THR . 71.6 t -58.0 -49.15 82.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.194 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -72.88 -33.13 65.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.246 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 84.3 t80 -63.44 -42.5 98.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.702 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.75 -44.51 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.7 -41.43 97.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.571 176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.0 99.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.757 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 4.8 mm-40 -60.86 -39.94 91.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.2 0.524 . . . . 0.0 110.552 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.29 -42.44 83.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.636 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.96 -34.39 68.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.108 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.77 -33.2 75.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.022 0.439 . . . . 0.0 110.002 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -68.44 -19.02 64.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.832 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -83.22 -2.65 56.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.72 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.97 20.52 77.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.418 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -103.39 103.02 12.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.884 0.373 . . . . 0.0 110.261 -176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -76.23 -22.31 55.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.603 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -76.38 -56.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.949 -175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.94 -28.66 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.88 91.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.1 m -67.51 -27.49 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.197 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.33 -48.78 74.3 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -74.49 -34.9 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.144 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB3' HG21 ' A' ' 111' ' ' VAL . 3.7 m-85 -60.44 -37.58 81.4 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.606 0.241 . . . . 0.0 110.359 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -61.69 -49.99 74.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.572 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -67.37 -35.04 78.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.366 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.64 98.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.868 0.366 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.994 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.29 -52.01 67.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.031 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.61 -29.56 70.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.278 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -47.76 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 176.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 42' ' ' VAL . 46.6 mm -55.4 -48.67 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.44 -43.74 65.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.341 176.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 ' HB1' ' A' ' 118' ' ' ALA . 31.0 mt -69.63 -44.33 70.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.91 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.0 mp -64.32 -35.77 81.93 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.689 0.281 . . . . 0.0 111.483 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG13 ' HB2' ' A' ' 47' ' ' LEU . 77.5 t -62.11 -43.62 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.83 0.348 . . . . 0.0 110.669 178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.0 mm -65.23 -44.31 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.46 -51.53 69.44 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.396 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -78.85 -7.19 57.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.65 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 58.17 65.05 1.36 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.015 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 ' HB2' HG13 ' A' ' 42' ' ' VAL . 87.6 mt -83.46 84.36 7.55 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 173.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HA ' ' OG1' ' A' ' 51' ' ' THR . 87.3 tttt -64.77 -36.12 83.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.288 -170.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -71.05 -14.38 62.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.325 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mm -94.41 -44.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 17.5 p -62.51 -39.03 92.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.609 -177.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 p30 -66.09 -19.01 65.71 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.67 0.272 . . . . 0.0 111.38 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.7 -38.41 15.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.031 0.443 . . . . 0.0 110.349 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 64' ' ' ASN . 46.5 t -74.21 -22.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.079 0.466 . . . . 0.0 110.591 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 51' ' ' THR . 5.1 mptp? -64.63 -8.21 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.836 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -63.33 -39.84 95.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.518 0.675 . . . . 0.0 109.187 172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -105.31 -171.27 1.88 Allowed 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.215 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.17 -10.68 13.3 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 172.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -144.63 147.56 33.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.357 -0.422 . . . . 0.0 109.998 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -70.79 132.31 45.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.192 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -100.46 -66.54 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.531 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 p -150.41 -79.29 0.13 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.99 -31.47 63.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.987 -173.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.506 ' HB3' HG22 ' A' ' 54' ' ' VAL . 5.3 m120 -54.85 -42.28 71.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 23.6 mt -71.56 -39.12 70.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.3 -175.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -72.72 -41.65 64.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.425 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 5.6 tmtt? -62.76 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.947 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.26 87.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.747 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -61.49 -30.08 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 10.1 mmmm -61.48 -44.02 97.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 mt -78.97 -34.41 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.015 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.68 -12.64 35.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.701 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 4.0 tmt_? -65.89 -26.36 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -77.51 -15.68 59.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 0.0 110.483 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -90.25 -63.11 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -132.27 125.27 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.176 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 14.8 t -71.08 -16.69 62.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.314 0.578 . . . . 0.0 110.472 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 24.9 mt-10 -65.51 -38.98 91.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.387 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.565 ' HB ' ' HD3' ' A' ' 80' ' ' PRO . 80.7 mt -51.28 -53.66 46.8 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -169.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 52.3 Cg_exo -53.5 -36.79 81.32 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.028 1.819 . . . . 0.0 112.824 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.17 -43.27 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.267 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 61.0 mt -61.71 -46.26 90.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.614 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ2' HD13 ' A' ' 65' ' ' LEU . 73.7 t-105 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -59.3 -43.1 92.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.513 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 49.1 m -60.61 -43.57 97.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.611 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.96 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.366 -178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -62.19 -34.21 76.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.632 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.5 m -61.18 -43.72 98.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.01 178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.564 HD22 HD13 ' A' ' 99' ' ' LEU . 50.8 mt -63.97 -31.98 73.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.463 . . . . 0.0 110.481 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -67.73 -50.57 56.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.133 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.12 -57.43 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.869 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -81.57 -3.05 52.23 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.32 -22.99 66.01 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -85.8 -17.48 35.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.364 0.602 . . . . 0.0 110.368 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -95.55 -41.78 8.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.81 155.23 19.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.11 0.481 . . . . 0.0 110.783 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -83.72 90.7 7.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.318 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m 64.51 16.8 10.49 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.523 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.564 HD13 HD22 ' A' ' 89' ' ' LEU . 95.9 mt 61.06 -169.37 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.162 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 103' ' ' GLU . 20.5 m-80 -114.59 151.88 32.73 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.59 -46.71 58.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.923 0.392 . . . . 0.0 110.313 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -61.87 -33.48 74.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.736 0.779 . . . . 0.0 109.946 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 47.3 tt0 -65.69 -51.76 56.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.664 178.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -66.15 -35.23 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.02 0.438 . . . . 0.0 110.767 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.98 -30.9 68.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.875 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 110' ' ' ASP . 53.6 tttm -68.22 -50.17 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.187 175.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 89' ' ' LEU . 4.1 mm? -59.1 -33.43 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.226 -176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 8.0 tmtm? -52.92 -37.69 61.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.828 0.347 . . . . 0.0 110.134 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -79.94 -44.46 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.352 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 106' ' ' LYS . 64.2 m-20 -57.52 -49.12 77.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.759 -177.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 30' ' ' TYR . 93.1 t -65.68 -37.18 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.698 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -62.56 -38.85 91.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.294 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -61.98 -38.2 87.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.665 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.31 -42.16 84.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.994 177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.512 ' O ' HG23 ' A' ' 119' ' ' VAL . 84.3 t -61.7 -48.06 90.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.72 -33.99 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.05 0.452 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.422 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.55 -37.39 65.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.746 -176.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -68.85 -37.73 79.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.898 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 115' ' ' VAL . 24.0 t -69.0 -32.73 55.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 109.65 175.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -74.78 -16.66 60.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.412 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 69.0 m -67.96 -28.81 67.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.39 -23.45 57.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.899 0.381 . . . . 0.0 111.075 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -100.1 24.2 8.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.97 17.76 23.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.663 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -84.85 76.29 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.723 0.773 . . . . 0.0 109.716 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -132.71 132.67 42.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.054 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -59.54 108.29 0.7 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.683 0.754 . . . . 0.0 110.305 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -91.61 99.03 12.01 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.145 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.311 177.017 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.821 0.343 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -95.89 68.67 2.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.157 0.504 . . . . 0.0 110.863 -176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -113.85 177.4 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.065 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t 66.69 35.49 5.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.744 0.783 . . . . 0.0 109.297 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 9' ' ' VAL . 27.4 p -77.34 172.77 12.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.835 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 p -53.68 -36.9 62.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.885 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.78 88.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.091 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.82 -36.87 75.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.793 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 5' ' ' THR . 87.7 t -61.87 -47.95 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.783 177.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CE2' ' HG3' ' A' ' 36' ' ' GLU . 17.0 m-85 -60.03 -40.78 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.579 177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.67 -37.36 87.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -66.47 -39.42 88.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.605 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.12 -35.42 80.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 110.337 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.62 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.973 0.416 . . . . 0.0 109.967 174.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.67 -33.49 74.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.6 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.5 -53.15 38.27 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.564 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -67.7 -29.61 68.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.284 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.28 -38.66 84.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 110.542 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -91.16 -14.63 30.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.001 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -77.57 -26.68 51.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.191 0.52 . . . . 0.0 109.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.35 12.1 31.94 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.446 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.51 80.73 1.51 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.842 0.354 . . . . 0.0 110.53 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.29 -45.74 93.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.51 -51.37 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.516 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.36 -28.67 69.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.334 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.44 -44.3 58.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.554 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.697 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 85.0 m -54.66 -51.91 63.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.74 -32.01 71.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.902 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -71.54 -46.39 59.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.469 -173.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 27' ' ' CYS . 8.7 p90 -75.85 -22.08 56.58 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.407 178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -63.02 -44.54 95.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.103 0.478 . . . . 0.0 109.713 172.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 32' ' ' LYS . 56.0 mmtt -71.11 -34.71 71.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.216 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -35.4 78.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.924 0.393 . . . . 0.0 110.691 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.79 -51.52 47.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.368 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 11.9 pt-20 -66.9 -32.44 73.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.858 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 5.2 mm-40 -55.87 -50.22 71.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.818 173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -62.19 -34.04 75.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.3 mm -55.46 -47.76 77.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.204 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 22.4 pttm -67.02 -33.41 75.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.486 -177.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.6 -44.93 95.7 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.776 0.322 . . . . 0.0 110.639 175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.5 mp -61.34 -42.39 98.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.841 177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 47' ' ' LEU . 90.6 t -58.69 -47.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.345 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 39' ' ' LYS . 35.1 mm -71.09 -52.27 28.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -23.23 62.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -96.17 -6.88 37.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.53 78.89 0.27 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.791 176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.605 ' HB2' HG13 ' A' ' 42' ' ' VAL . 86.6 mt -97.87 95.48 7.54 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.659 172.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.622 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 1.8 tpmt? -67.94 -38.81 83.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.256 -175.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.84 -35.92 77.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.5 mm -81.63 -42.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.174 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.7 p -65.72 -42.9 90.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.503 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.78 -38.94 83.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.528 . . . . 0.0 110.645 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -77.11 -37.53 54.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.082 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.19 -22.55 14.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.263 0.554 . . . . 0.0 110.559 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.45 -16.79 63.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.05 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -61.95 -36.39 81.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.787 176.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -102.82 177.02 4.96 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.499 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.16 25.97 9.55 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -153.63 145.57 23.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.534 -0.833 . . . . 0.0 108.941 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -81.69 129.28 34.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.211 0.529 . . . . 0.0 110.518 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.891 ' HD2' ' HG2' ' A' ' 63' ' ' GLU . 4.6 tmtt? -96.07 141.11 29.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.913 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.9 p -59.29 -37.45 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 0.0 111.779 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 61' ' ' LYS . 11.5 pt-20 -67.7 -28.25 67.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.288 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -70.51 -33.1 70.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 109.663 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -65.02 -39.37 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.18 -40.19 90.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.371 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -62.59 -50.47 71.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.191 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.26 -44.81 80.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.57 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -64.12 -32.31 73.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.279 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -66.29 -47.39 73.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.485 0.66 . . . . 0.0 110.324 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.25 -34.73 77.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.4 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -77.23 3.22 13.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.122 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 3.3 tmt_? -62.25 -32.58 73.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.65 0.262 . . . . 0.0 110.674 178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 t -71.84 -23.63 61.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.118 0.485 . . . . 0.0 110.581 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -81.07 -54.4 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' HB3' HG13 ' A' ' 79' ' ' ILE . 4.9 t-20 -143.43 112.54 6.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 175.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 5.6 t -69.05 -10.36 57.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.111 0.481 . . . . 0.0 111.494 -173.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 38.7 mt-10 -75.84 -31.64 59.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 76' ' ' ASN . 80.5 mt -51.15 -57.33 14.29 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 17.5 Cg_endo -58.15 -32.2 95.11 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.136 1.891 . . . . 0.0 112.43 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.29 -42.52 36.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 110.384 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 64.4 mt -66.01 -41.42 91.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.899 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -66.97 -36.39 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.235 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.16 -34.4 74.96 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.395 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 m -55.56 -51.3 67.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.377 175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.79 85.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.7 t-105 -62.81 -36.67 83.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.595 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -60.14 -43.44 95.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.751 HD11 ' HG ' ' A' ' 107' ' ' LEU . 69.1 mt -61.83 -40.07 93.99 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.984 0.421 . . . . 0.0 110.176 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.57 -47.06 87.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.785 178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' TRP . 61.1 t -73.81 -50.69 27.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.924 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.51 -39.44 62.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.75 40.53 2.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.139 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -82.41 -29.28 30.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.961 0.41 . . . . 0.0 111.23 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -96.44 -63.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -108.92 123.24 48.77 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.905 0.384 . . . . 0.0 110.472 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.69 82.87 6.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.962 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 p -152.78 79.47 1.21 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.25 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.417 HD12 ' SG ' ' A' ' 27' ' ' CYS . 96.3 mt -86.21 -172.76 4.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.8 p30 -135.01 159.17 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.111 0.482 . . . . 0.0 111.831 -172.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 105' ' ' LYS . 14.4 tt0 -60.03 -39.0 84.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.155 -177.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HB3' ' OD1' ' A' ' 100' ' ' ASN . 85.2 tttt -54.13 -40.63 67.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.791 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.497 ' HG2' HD23 ' A' ' 107' ' ' LEU . 3.0 tm-20 -78.14 -50.22 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.685 176.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ASN . 86.1 t -52.67 -43.81 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 O-C-N 123.499 0.499 . . . . 0.0 112.173 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 101' ' ' GLU . 32.7 mmtp -63.27 -34.51 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.338 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -52.47 9.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.924 0.392 . . . . 0.0 110.083 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.7 mm? -58.68 -33.84 70.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.513 -176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -64.74 -23.3 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.827 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -81.92 -32.43 30.88 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.357 176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 4.2 m-20 -59.83 -49.57 77.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.22 0.534 . . . . 0.0 109.867 172.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 115' ' ' VAL . 59.1 t -66.56 -36.69 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.447 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -57.0 -40.75 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.519 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 36.5 mmtt -56.06 -50.45 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.059 174.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.2 -44.38 95.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.868 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 111' ' ' VAL . 99.3 t -62.39 -51.68 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.356 -176.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 76.9 mt -58.92 -32.67 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.761 0.315 . . . . 0.0 110.358 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -74.67 -44.1 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.346 -175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 121' ' ' SER . . . -64.21 -45.68 87.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.43 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 115' ' ' VAL . 48.8 t -63.42 -41.91 94.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.53 -35.44 75.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.139 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 71.8 m -62.1 -44.42 96.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.526 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -74.42 -19.18 60.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.17 -7.52 51.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.425 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -83.53 130.92 35.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -69.21 -18.54 63.91 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -151.04 -75.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -162.86 120.79 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -155.77 127.21 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.589 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.0 t60 . . . . . 0 C--O 1.242 0.69 0 CA-C-O 118.405 -0.807 . . . . 0.0 108.924 172.007 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.431 0.634 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 m -160.28 30.37 0.17 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.483 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 4' ' ' SER . 28.2 mt 70.25 161.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 -170.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 3' ' ' ILE . 8.4 t 54.74 74.37 0.36 Allowed 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.266 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -76.12 164.97 25.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.741 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -59.43 -38.02 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.702 0.287 . . . . 0.0 110.676 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.69 80.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -64.53 -48.97 73.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 95.1 t -57.78 -54.84 26.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.109 -177.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.588 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 58.0 m-85 -60.81 -37.33 81.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.542 0.211 . . . . 0.0 111.296 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -68.78 -38.27 79.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.836 0.35 . . . . 0.0 110.653 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -75.96 -30.49 58.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.684 0.278 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 43.8 mt-10 -63.07 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.3 -45.6 90.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 109.838 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.85 -40.47 80.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.301 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -61.69 -47.41 85.46 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.775 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -67.68 -38.34 83.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.841 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.73 -33.78 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 110.31 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 m -74.53 -27.87 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.909 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -79.57 -36.11 38.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.362 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.97 23.59 4.88 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.571 -176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -107.39 137.45 45.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.5 mt -112.94 -24.04 9.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.78 -57.31 7.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 111.059 -173.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.574 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 32.2 mt-30 -72.48 -28.39 62.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.0 71.22 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.829 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.536 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 79.0 m -60.45 -39.7 88.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -59.68 -39.11 83.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.983 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.56 -57.48 12.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.665 -175.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB2' HG11 ' A' ' 111' ' ' VAL . 21.4 p90 -76.07 -18.32 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.031 -0.667 . . . . 0.0 111.096 -178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -64.45 -51.83 61.08 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 35' ' ' GLU . 94.7 mttt -71.65 -26.91 62.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.174 178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.107 0.48 . . . . 0.0 110.024 171.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -67.38 -39.15 85.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 175.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 29.3 tt0 -54.74 -46.94 74.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.099 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 42.7 mm-40 -59.1 -47.84 83.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.809 174.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.3 99.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.513 -174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 42' ' ' VAL . 40.7 mm -55.01 -49.85 67.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -176.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 16.5 pttp -69.06 -30.98 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.182 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD22 HD11 ' A' ' 122' ' ' LEU . 88.8 mt -61.26 -41.64 97.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.747 0.308 . . . . 0.0 110.481 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 11.1 mp -71.86 -27.14 62.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 111.247 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG13 ' HB2' ' A' ' 47' ' ' LEU . 67.2 t -68.04 -36.63 76.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.918 0.39 . . . . 0.0 110.442 177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' LYS . 29.0 mm -65.06 -40.22 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.952 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 41' ' ' LEU . 6.1 pt-20 -72.02 -40.92 68.11 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.429 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -79.26 -14.29 59.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 111.001 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 58.25 66.76 1.04 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.872 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.588 ' HB2' HG13 ' A' ' 42' ' ' VAL . 71.9 mt -90.29 76.1 6.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -64.8 -19.4 65.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.369 -174.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.84 -32.04 67.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.864 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.5 mm -95.86 -39.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.882 179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 m -54.07 -42.23 69.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.147 -177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -77.31 -18.02 57.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.987 0.422 . . . . 0.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -83.91 -26.48 29.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 50' ' ' ILE . 61.3 t -63.2 -23.96 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.969 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -60.83 -18.5 56.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.895 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -68.6 -67.23 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.578 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.94 -16.21 61.1 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.344 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.69 -28.91 4.25 Favored Glycine 0 C--N 1.316 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.453 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -142.08 153.65 44.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' HH2' HG11 ' A' ' 42' ' ' VAL . 22.5 m95 -70.5 133.98 47.31 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -150.75 -85.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.836 0.35 . . . . 0.0 111.849 177.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -104.38 -68.68 0.84 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 18.5 mp0 -58.22 -51.0 71.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 0.0 111.341 -173.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -58.57 -37.35 75.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.135 -175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.541 ' CD1' ' HG3' ' A' ' 35' ' ' GLU . 65.4 mt -81.35 -40.44 23.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -69.26 -36.08 76.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.166 0.508 . . . . 0.0 110.071 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 50' ' ' ILE . 6.4 tmtt? -70.06 -43.38 71.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.058 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -66.44 -46.25 77.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.947 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 13.2 p -63.64 -32.67 74.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 0.0 111.532 -176.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -60.75 -48.43 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.336 0.589 . . . . 0.0 109.525 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.8 -33.34 75.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.305 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' SER . 75.6 mt -62.6 -8.78 7.05 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HB2' ' HG3' ' A' ' 80' ' ' PRO . 6.4 tmm_? -63.32 -23.6 67.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.084 0.469 . . . . 0.0 109.88 174.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.5 m -74.15 -6.97 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.103 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -104.11 -52.68 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.636 ' HB3' HG13 ' A' ' 79' ' ' ILE . 26.0 t-20 -146.62 138.17 24.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.251 176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.7 m -70.23 -30.87 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -173.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.8 mt-10 -76.48 -22.75 54.12 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 76' ' ' ASN . 67.8 mt -52.06 -58.19 12.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HG3' ' HB2' ' A' ' 73' ' ' ARG . 18.2 Cg_endo -59.64 -32.11 95.39 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.962 1.775 . . . . 0.0 112.133 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.3 mt -69.09 -40.79 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.374 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.4 mt -62.63 -44.2 96.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.753 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -63.39 -41.54 98.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.063 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -70.14 -33.55 71.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.429 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 t -62.38 -45.6 92.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.885 175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.68 96.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.154 0.502 . . . . 0.0 110.638 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -56.54 -33.85 66.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.839 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.7 m -57.02 -32.07 65.79 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.436 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.525 HD11 ' HG ' ' A' ' 107' ' ' LEU . 92.6 mt -61.48 -31.31 71.28 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.834 0.35 . . . . 0.0 111.21 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -85.06 -24.59 28.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.84 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.53 -35.14 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.195 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -80.51 -1.09 40.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.383 0.611 . . . . 0.0 110.684 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -81.76 63.29 4.4 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -77.41 -57.04 4.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 111.053 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -122.34 -46.46 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.827 0.346 . . . . 0.0 110.478 -179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.68 156.51 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.23 93.21 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.7 m -118.02 -59.27 1.92 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.338 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt 64.89 153.41 0.06 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.757 0.789 . . . . 0.0 112.198 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 104' ' ' VAL . 36.8 m-80 -95.59 149.73 21.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.678 177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 23.1 tt0 -73.33 -31.65 64.1 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.723 -175.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -56.02 -45.2 79.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.317 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -73.62 -29.02 62.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 100' ' ' ASN . 77.0 t -62.11 -35.24 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.578 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 37.1 mmtt -56.89 -43.04 80.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.431 0.634 . . . . 0.0 109.604 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.505 ' HE2' HD22 ' A' ' 107' ' ' LEU . 3.4 tmmm? -69.13 -48.01 63.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.57 -177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.4 mm? -60.19 -35.55 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.645 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -59.94 -37.44 79.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.997 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 -41.59 38.02 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.898 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.679 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 92.8 m-20 -57.09 -50.48 72.66 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.954 0.407 . . . . 0.0 110.973 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 30' ' ' TYR . 85.7 t -67.75 -33.85 64.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -61.33 -35.67 78.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.677 0.275 . . . . 0.0 110.296 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.679 ' HD2' ' HA ' ' A' ' 110' ' ' ASP . 45.3 mttm -54.63 -45.73 73.78 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.536 0.684 . . . . 0.0 110.425 175.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 tp -78.26 -44.33 25.79 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.017 -173.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' VAL . 82.7 t -57.28 -47.96 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.34 -30.88 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.735 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -79.46 -38.85 33.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 109.867 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.27 92.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.411 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.74 -36.94 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.382 0.61 . . . . 0.0 110.048 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -72.78 -14.56 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.562 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.7 t -76.78 -52.4 9.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.993 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 40' ' ' LEU . 7.8 mp -73.87 -54.56 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.323 0.582 . . . . 0.0 110.872 -176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -106.15 66.7 0.72 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 122.161 0.982 . . . . 0.0 109.895 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.64 116.08 7.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.91 -1.496 . . . . 0.0 110.639 -178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -125.65 48.08 2.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.956 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 69.96 -49.07 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -52.48 109.59 0.41 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.44 0.696 . . . . 0.0 111.4 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 -129.85 -26.65 2.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 175.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.12 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.731 0.3 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -79.66 -43.91 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.188 0.518 . . . . 0.0 110.654 -175.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 pt -116.29 172.64 4.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.391 -178.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 m -124.69 77.95 1.64 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -87.81 169.31 12.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -57.37 -37.39 72.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.857 0.36 . . . . 0.0 110.477 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.95 -53.2 57.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.587 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -56.49 -49.47 74.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 79.8 t -59.47 -53.25 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.687 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -72.72 -26.27 61.53 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.608 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.56 -43.05 77.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -61.79 -43.86 98.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' ' 29' ' ' LYS . 63.7 mt-10 -64.94 -37.71 88.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.752 0.31 . . . . 0.0 110.538 178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.21 98.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.014 0.435 . . . . 0.0 110.062 175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.14 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.577 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -62.15 -44.13 97.29 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -75.19 -28.54 60.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.566 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -66.69 -35.6 80.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -72.34 -23.17 61.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.147 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.79 -40.33 61.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.144 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.21 23.32 8.14 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.025 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -115.68 143.21 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.272 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.874 HD22 HG21 ' A' ' 104' ' ' VAL . 57.5 mt -95.52 -39.91 9.72 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.773 -178.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.37 -52.83 56.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.906 -172.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -67.85 -27.36 66.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 111.009 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.1 -43.77 56.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.372 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.8 m -56.85 -41.17 77.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -175.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.21 -38.92 91.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.422 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 13' ' ' GLU . 67.8 mttm -82.84 -27.08 31.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.487 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.99 -40.98 97.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -61.47 -44.32 97.31 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.298 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 11.9 mptt -62.15 -45.36 93.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.43 80.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.434 . . . . 0.0 110.579 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.26 -42.35 45.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.076 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.95 -49.12 79.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.046 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.69 -41.42 99.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.865 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 41' ' ' LEU . . . -60.56 -45.94 92.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.125 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.553 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.6 mm -59.13 -49.14 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -47.82 -54.63 11.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.284 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.49 -49.45 77.32 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.073 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLU . 93.5 mt -63.64 -37.09 86.03 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.578 HG13 ' HB2' ' A' ' 47' ' ' LEU . 54.9 t -56.29 -47.44 81.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.937 0.399 . . . . 0.0 110.597 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.8 mt -74.36 -39.67 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.834 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -69.27 -21.33 63.9 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.242 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 10.7 m-80 -74.2 -82.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.931 173.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 9.2 t-20 173.48 15.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.614 0.571 . . . . 0.0 111.126 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' HG13 ' A' ' 42' ' ' VAL . 98.0 mt -87.4 59.93 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.73 -0.606 . . . . 0.0 111.081 -172.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 8.6 mtmp? -61.13 -24.69 66.46 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.718 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 3.7 mm-40 -66.96 -22.67 65.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 ' HB2' ' A' ' 68' ' ' ALA . 49.0 mm -91.86 -27.89 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 m -68.9 -53.79 19.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.121 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 7.4 p30 -68.34 -18.64 64.54 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.168 0.509 . . . . 0.0 110.217 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.76 -33.08 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.083 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 60' ' ' TRP . 5.3 t -108.56 15.82 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.169 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 12.9 tmtt? -60.26 -35.04 74.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.035 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.19 -35.51 74.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.952 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -95.14 168.78 10.54 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.628 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.91 -31.25 6.36 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.828 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -113.37 142.14 46.22 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.649 ' HA ' HG11 ' A' ' 54' ' ' VAL . 16.4 m95 -67.1 135.61 53.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.541 -177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -76.45 128.36 34.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.117 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 65' ' ' LEU . 46.6 m -56.48 -36.23 68.87 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -175.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -64.42 -39.62 94.19 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.193 0.521 . . . . 0.0 110.302 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.05 -32.21 66.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.807 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 62' ' ' SER . 88.0 mt -64.59 -42.88 95.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.939 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -64.42 -35.71 81.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.438 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 9.4 tptm -75.28 -41.29 57.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.282 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -58.22 -38.51 76.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.962 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -63.86 -30.89 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.407 . . . . 0.0 110.763 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -65.0 -43.79 91.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.8 mt -68.59 -34.1 75.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.221 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 42' ' ' VAL . 91.1 mt -67.39 -4.89 12.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.476 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' THR . 1.5 tmt_? -58.12 -24.71 59.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.803 175.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.2 t -59.1 -33.46 70.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.87 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -82.13 -51.72 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 78' ' ' GLU . 24.1 t-20 -150.94 136.64 18.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.847 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.601 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 15.3 t -69.87 -20.9 63.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -174.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HB2' ' OD1' ' A' ' 76' ' ' ASN . 42.5 mt-10 -87.55 -9.45 54.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -176.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 38.4 mm -50.4 -56.06 21.22 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.9 Cg_endo -59.98 -30.99 92.91 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.017 1.812 . . . . 0.0 112.224 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 56.7 mt -72.03 -41.68 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.328 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.62 -40.99 84.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.609 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -65.71 -36.58 84.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.061 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 78.7 tttt -52.7 -46.6 67.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 50.5 m -63.29 -41.91 99.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.259 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.86 -39.23 87.49 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.198 0.523 . . . . 0.0 110.467 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.457 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.4 t-105 -59.08 -45.01 91.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.876 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.7 m -59.35 -39.27 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.127 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.691 HD21 ' HG ' ' A' ' 107' ' ' LEU . 95.5 mt -54.7 -38.4 66.97 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.41 -39.3 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.376 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 92' ' ' GLU . 79.3 t -59.77 -57.57 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.146 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG3' HG12 ' A' ' 91' ' ' VAL . 43.1 mt-10 -121.25 63.33 0.89 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.113 0.959 . . . . 0.0 110.16 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 89' ' ' LEU . . . -144.37 117.25 1.02 Allowed Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 175.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' GLY . 29.1 t80 74.58 11.59 3.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 122.169 0.985 . . . . 0.0 108.528 -169.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -85.59 -75.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.867 176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -141.38 -49.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 99' ' ' LEU . 3.2 mm? -91.86 105.77 17.96 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.825 174.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -74.96 21.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.395 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 97' ' ' LEU . 94.3 mt 59.93 -169.13 0.15 Allowed 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.056 0.542 . . . . 0.0 110.929 -176.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -133.06 160.64 36.58 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.23 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.33 -35.98 60.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.924 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.61 -46.27 66.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.446 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.75 -32.17 67.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.217 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.874 HG21 HD22 ' A' ' 23' ' ' LEU . 47.7 t -64.32 -39.01 84.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.793 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.851 ' HA ' ' HE3' ' A' ' 108' ' ' LYS . 87.3 mttt -61.44 -33.24 73.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.908 0.385 . . . . 0.0 111.279 176.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -76.0 -47.86 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.028 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.691 ' HG ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -62.79 -34.64 77.7 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.835 -175.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.851 ' HE3' ' HA ' ' A' ' 105' ' ' LYS . 18.7 ptpt -59.95 -30.9 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.741 -178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -81.85 -40.35 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -58.89 -49.15 78.87 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.407 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.3 t -66.76 -38.27 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.333 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 49.1 mtt180 -59.57 -38.94 82.47 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.965 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -56.66 -49.94 73.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.576 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.33 -37.42 87.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.448 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 111' ' ' VAL . 92.0 t -66.38 -48.96 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.808 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ASN . 86.1 mt -59.11 -33.47 50.51 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.249 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -66.2 -47.86 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.086 0.47 . . . . 0.0 110.651 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.18 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.38 -39.28 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.65 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 1.5 t-20 -63.81 -35.05 79.32 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.561 -177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.1 t -67.33 -36.74 82.07 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.707 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.48 -64.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.394 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 126' ' ' HIS . 0.1 OUTLIER 44.74 58.95 3.62 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.512 0.507 . . . . 0.0 111.758 -176.123 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -82.08 -36.1 27.98 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.348 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.627 ' HA ' ' OE1' ' A' ' 123' ' ' GLU . 15.0 m-70 62.89 121.97 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 124.001 0.813 . . . . 0.0 112.804 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -66.72 -43.78 83.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 71.26 139.71 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.329 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.154 172.344 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -145.07 106.15 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 -176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 pt -121.2 164.41 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t 56.36 80.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.46 0.647 . . . . 0.0 109.975 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 122' ' ' LEU . 2.8 p -79.28 178.45 8.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.876 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -57.31 -34.61 68.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.156 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 115' ' ' VAL . . . -62.3 -43.93 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -58.87 -46.79 86.96 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.524 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.58 -53.04 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.528 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -68.39 -30.63 69.6 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -66.02 -38.69 89.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.961 0.41 . . . . 0.0 110.029 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.68 -37.95 89.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.331 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.54 -42.85 98.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.932 0.396 . . . . 0.0 110.391 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 30' ' ' TYR . . . -59.7 -45.96 90.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.559 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.12 -38.79 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.832 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.01 -51.85 67.91 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.786 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -70.02 -36.95 75.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD22 ' HD3' ' A' ' 108' ' ' LYS . 56.1 tp -63.99 -34.28 77.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.252 0.548 . . . . 0.0 110.174 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -88.87 0.42 56.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.486 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 20' ' ' LYS . 21.3 tptp -87.82 -24.8 23.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.46 7.74 17.83 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.817 175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -128.08 121.63 30.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.096 0.474 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HG11 ' A' ' 104' ' ' VAL . 78.5 mt -75.63 -31.48 59.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.356 -177.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.69 -52.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 111.386 -172.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.57 -26.84 68.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.441 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.3 -35.86 54.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.318 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 75.6 m -59.51 -39.7 84.72 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -67.5 -33.21 74.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -74.64 -28.47 60.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HE2' HG13 ' A' ' 104' ' ' VAL . 23.3 m-85 -62.36 -45.32 93.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 174.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.18 -43.04 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.115 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -61.1 -52.21 65.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.525 178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.82 80.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.972 0.415 . . . . 0.0 111.012 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -65.67 -46.54 78.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.938 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -61.15 -36.47 79.86 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.849 0.357 . . . . 0.0 111.085 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 58.7 mm-40 -64.01 -44.93 91.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 176.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' O ' HD13 ' A' ' 41' ' ' LEU . . . -58.89 -44.18 91.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.256 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.9 mm -56.9 -49.8 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.602 -178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ3' ' HA ' ' A' ' 36' ' ' GLU . 10.2 ptpp? -64.45 -39.16 93.3 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.816 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 36' ' ' GLU . 9.7 mp -58.49 -49.17 78.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.764 0.316 . . . . 0.0 111.508 174.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 37' ' ' ALA . 10.6 mp -64.25 -37.47 87.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.501 -179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 38' ' ' ILE . 55.6 t -53.44 -47.26 59.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.912 0.387 . . . . 0.0 111.055 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.72 -48.83 86.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.742 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.27 -39.24 89.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.19 0.519 . . . . 0.0 111.343 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -79.74 7.38 8.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.853 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 63.03 26.56 15.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.371 0.605 . . . . 0.0 110.369 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' HG13 ' A' ' 42' ' ' VAL . 66.9 mt -81.15 52.11 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.728 ' HA ' HG22 ' A' ' 51' ' ' THR . 64.9 mttm -59.77 -23.58 63.37 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.361 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.419 ' HB2' HD12 ' A' ' 50' ' ' ILE . 16.9 mm-40 -49.92 -43.7 49.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.052 178.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.579 HD11 HD12 ' A' ' 71' ' ' LEU . 2.8 mp -81.02 -50.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 -177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.728 HG22 ' HA ' ' A' ' 48' ' ' LYS . 13.9 t -63.36 -27.63 69.44 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 7.5 m-20 -70.14 -28.73 65.59 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 176.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -82.08 -24.66 35.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.108 0.48 . . . . 0.0 110.12 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' ILE . 47.4 t -80.59 -14.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.994 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 52' ' ' ASN . 18.3 mmmt -58.67 -19.13 36.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.022 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -65.07 -40.22 94.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.363 0.602 . . . . 0.0 110.171 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -98.66 177.91 5.16 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.741 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -102.63 -18.2 16.87 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -125.61 153.31 43.95 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.429 ' HA ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 m95 -64.42 136.68 57.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.313 0.577 . . . . 0.0 111.912 -177.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.91 131.84 34.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.053 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 p -54.32 -38.27 65.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.734 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -59.03 -46.9 87.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.586 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.573 ' HB3' HG23 ' A' ' 50' ' ' ILE . 26.8 m-80 -75.34 -24.76 57.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.988 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 62' ' ' SER . 92.6 mt -66.96 -43.57 82.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.191 0.519 . . . . 0.0 110.19 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -68.6 -36.43 78.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.761 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 38.3 ttmt -57.92 -52.78 64.1 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.232 176.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 72' ' ' LEU . . . -56.55 -49.14 75.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.408 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -61.69 -37.1 82.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.006 0.431 . . . . 0.0 110.958 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -64.47 -45.75 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.451 0.644 . . . . 0.0 109.84 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 50' ' ' ILE . 86.6 mt -65.41 -33.94 77.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.13 178.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 68' ' ' ALA . 67.2 mt -64.12 -16.1 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' A' ' 73' ' ' ARG . 2.2 tmm_? -63.99 -23.21 67.25 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.171 0.51 . . . . 0.0 109.948 178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.3 t -72.02 -11.19 60.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.653 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -107.95 -56.3 2.25 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -137.78 129.95 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.501 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 73' ' ' ARG . 11.5 t -80.82 -11.48 59.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -171.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 43.6 mt-10 -82.99 -28.36 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.324 -0.235 . . . . 0.0 111.233 -177.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 63.4 mt -53.91 -57.6 17.04 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 18.5 Cg_endo -59.28 -30.22 92.33 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.316 2.011 . . . . 0.0 112.641 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.3 -50.06 60.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 60.1 mt -60.67 -39.77 89.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.566 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -68.05 -39.22 83.07 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 87' ' ' TRP . 82.2 tttt -62.63 -34.88 77.95 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.771 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -61.12 -44.09 97.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.732 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.78 67.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.05 0.452 . . . . 0.0 110.425 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . 59.8 t-105 -56.77 -46.85 81.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.487 176.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.8 m -58.24 -34.55 70.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.877 HD22 HD13 ' A' ' 99' ' ' LEU . 54.2 mt -60.32 -38.85 85.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.973 0.416 . . . . 0.0 110.499 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -76.26 -33.86 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.575 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 87' ' ' TRP . 93.4 t -65.71 -39.31 84.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 110.637 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -80.1 3.08 21.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.625 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.3 -7.4 60.21 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.897 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -60.44 -31.47 70.45 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.409 176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -112.82 36.52 3.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.081 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 71.78 163.8 0.27 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.496 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.99 67.65 4.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.321 0.581 . . . . 0.0 110.458 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 m -107.26 32.66 4.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.468 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD13 HD22 ' A' ' 89' ' ' LEU . 48.6 mt -53.4 138.57 32.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.006 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' HB2' ' OE1' ' A' ' 103' ' ' GLU . 27.7 m-80 -66.18 148.83 51.24 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.07 0.462 . . . . 0.0 110.547 -175.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 40.2 tt0 -58.22 -45.06 88.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.305 -176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.83 -46.06 81.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.055 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE1' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.57 -41.12 93.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.975 179.129 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HE2' ' A' ' 30' ' ' TYR . 90.4 t -61.25 -42.82 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.559 177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 35.0 mmtp -63.58 -34.77 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.281 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -75.22 -44.44 46.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.572 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.843 ' HG ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -56.44 -39.28 72.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.084 -173.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HD3' HD22 ' A' ' 18' ' ' LEU . 31.4 ttpt -64.38 -33.66 76.36 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.95 -43.7 57.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.186 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.33 -51.25 70.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.301 175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 115' ' ' VAL . 80.2 t -62.08 -39.67 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.597 ' O ' HG12 ' A' ' 116' ' ' ILE . 12.7 ttm-85 -55.3 -45.27 76.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.686 0.279 . . . . 0.0 110.27 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.27 -42.37 81.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.135 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.78 -39.72 66.52 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.487 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.552 HG13 ' HB1' ' A' ' 7' ' ' ALA . 55.9 t -59.75 -45.37 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.009 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 112' ' ' ARG . 51.5 mm -57.37 -34.84 47.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.853 0.359 . . . . 0.0 110.344 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.982 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.92 72.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.816 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.486 HG13 ' OE2' ' A' ' 123' ' ' GLU . 42.8 t -55.21 -49.78 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.915 175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -61.32 -34.03 74.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.655 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.06 -42.13 84.81 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.733 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.427 ' HB2' HG21 ' A' ' 5' ' ' THR . 10.6 mp -96.1 -29.3 14.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.851 178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.486 ' OE2' HG13 ' A' ' 119' ' ' VAL . 40.9 mt-10 -103.78 45.26 0.97 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.562 -177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.19 121.79 15.99 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.171 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -111.67 7.43 20.41 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 168.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -57.39 -31.49 65.87 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.229 174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -66.84 101.84 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 129' ' ' HIS . 50.2 t-80 -53.81 106.94 0.21 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.088 -0.96 . . . . 0.0 113.082 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 128' ' ' HIS . 10.6 p-80 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.905 172.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -130.83 -43.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.21 161.66 4.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.375 0.607 . . . . 0.0 111.326 -178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -159.43 96.87 1.31 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.616 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 72.9 p -77.66 154.58 32.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -63.94 -37.44 87.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 0.0 110.725 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.81 72.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.562 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 5' ' ' THR . 13.3 pt-20 -66.41 -34.79 78.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 110.929 -177.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 71.8 t -64.5 -49.55 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.649 179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -69.82 -29.28 66.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.709 0.29 . . . . 0.0 110.849 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -63.64 -44.18 94.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 31.8 tt0 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.569 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLU . 35.6 mm-40 -61.95 -35.0 77.16 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.718 0.294 . . . . 0.0 110.724 174.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.66 96.54 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.078 0.466 . . . . 0.0 109.771 174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.24 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.271 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 22.4 mm-40 -59.99 -53.0 62.96 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -70.99 -30.91 67.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.49 -37.56 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 109.766 174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -82.87 -27.77 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.584 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.71 -38.89 92.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.76 13.8 4.96 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.733 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -119.73 118.62 31.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -84.5 -28.88 26.42 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.324 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.11 -51.48 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -68.62 -27.62 66.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.653 0.263 . . . . 0.0 110.8 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.0 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.967 174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 78.6 m -63.7 -38.75 92.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.958 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -62.12 -40.47 96.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.721 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 44.7 mmtm -72.73 -30.6 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.49 ' HB3' HG21 ' A' ' 111' ' ' VAL . 13.2 m-85 -60.59 -37.35 81.09 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.947 0.403 . . . . 0.0 109.986 173.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.93 -42.63 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -63.38 -32.86 74.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.142 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.02 63.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 110.247 175.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -64.75 -48.48 74.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.672 -178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 9.5 pt-20 -60.8 -42.44 97.61 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.671 -177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 59.1 mm-40 -66.79 -36.77 83.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.02 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.6 -47.44 75.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 45.8 mm -53.51 -46.64 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 8.0 mtpm? -52.44 -41.82 63.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 175.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.67 HD12 ' HB1' ' A' ' 118' ' ' ALA . 58.1 mt -72.42 -36.97 68.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.82 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 117' ' ' PHE . 10.1 mp -71.14 -32.55 69.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.751 0.31 . . . . 0.0 111.226 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG13 ' HB2' ' A' ' 47' ' ' LEU . 78.3 t -61.77 -34.58 63.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.852 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LYS . 40.3 mm -63.22 -40.71 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.228 179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.38 -38.92 78.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.214 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 75' ' ' ASN . 42.1 m-80 -89.9 -17.58 27.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.781 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 58.33 78.24 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.184 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.626 ' HB2' HG13 ' A' ' 42' ' ' VAL . 68.9 mt -84.36 88.08 7.24 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.447 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 33.3 ttmt -67.95 -38.22 82.52 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.228 -173.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.57 -33.49 75.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.751 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.3 mp -84.52 -45.6 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 p -61.49 -36.5 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -69.57 -25.18 63.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.746 0.308 . . . . 0.0 111.026 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -84.39 -17.7 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.485 176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 50' ' ' ILE . 68.8 t -73.99 -29.02 24.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.489 0.661 . . . . 0.0 110.131 176.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -69.43 -5.53 24.34 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.626 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.48 -60.01 4.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.323 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -105.55 3.57 29.48 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -177.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.19 -41.67 2.47 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 45.5 ttt-85 -119.81 160.27 22.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.457 ' CE2' ' HG2' ' A' ' 39' ' ' LYS . 20.8 m95 -52.35 121.64 7.31 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.224 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 160.37 32.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -54.07 -47.0 72.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 123.303 0.377 . . . . 0.0 110.378 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PHE . 10.1 pt-20 -59.8 -36.5 76.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.833 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -71.72 -25.37 62.05 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.514 0.197 . . . . 0.0 110.882 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.29 -43.22 78.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.293 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' HD1' ' HE1' ' A' ' 83' ' ' TRP . 45.2 m-85 -66.91 -43.75 82.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.366 0.603 . . . . 0.0 109.529 175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 24.6 ttmt -59.42 -49.09 79.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.323 -176.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.94 93.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -71.5 -26.65 62.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.177 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -63.01 -42.44 99.82 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.065 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD12 HD11 ' A' ' 50' ' ' ILE . 51.3 mt -84.33 -151.06 0.12 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.034 173.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD12 HG21 ' A' ' 79' ' ' ILE . 96.3 mt 68.12 4.92 4.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.998 0.519 . . . . 0.0 111.213 -175.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -64.89 -16.96 63.88 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.411 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -63.59 -31.94 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.946 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.578 ' HB2' ' OD1' ' A' ' 45' ' ' ASN . 3.5 t30 -95.59 -47.6 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.029 0.442 . . . . 0.0 110.002 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -156.37 144.49 19.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.678 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t -89.54 -2.59 58.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 45.8 mt-10 -79.31 -23.74 43.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 72' ' ' LEU . 2.2 mp -50.6 -52.29 57.26 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 79' ' ' ILE . 11.2 Cg_endo -55.48 -34.46 89.56 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.279 1.986 . . . . 0.0 113.114 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.25 -44.33 30.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.93 0.395 . . . . 0.0 110.218 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' A' ' 114' ' ' LEU . 86.9 mt -56.57 -45.87 81.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.782 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.638 ' HE1' ' HD1' ' A' ' 66' ' ' PHE . 73.6 t-105 -64.22 -38.89 92.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.966 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 84' ' ' LYS . 12.3 tmtt? -57.4 -41.95 81.31 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.116 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.426 ' C ' HD11 ' A' ' 107' ' ' LEU . 20.8 m -59.85 -46.82 88.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.734 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.83 84.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.129 0.49 . . . . 0.0 110.645 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.9 t-105 -54.79 -45.13 74.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.884 175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.0 m -60.87 -32.77 72.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.025 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.773 HD11 ' HG ' ' A' ' 107' ' ' LEU . 81.8 mt -65.99 -47.9 72.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.68 -24.98 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.0 -175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 87' ' ' TRP . 96.1 t -72.56 -33.78 46.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.803 174.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' A' ' 99' ' ' LEU . 38.3 mt-10 61.18 27.31 17.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.712 -176.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -107.41 74.0 0.21 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.58 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -97.91 -52.17 3.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -154.33 -43.42 0.09 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.61 -1.177 . . . . 0.0 107.901 172.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -137.42 -179.08 5.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.9 mm? -76.26 64.47 2.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.054 0.454 . . . . 0.0 110.578 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.5 m -161.76 92.94 0.89 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.939 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' A' ' 92' ' ' GLU . 3.2 mm? -68.07 127.05 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 172.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 20.7 m120 -80.18 161.59 25.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.346 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.12 -45.19 79.6 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.064 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -54.73 -40.1 68.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.129 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -71.54 -46.16 60.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.339 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 27' ' ' CYS . 40.0 t -62.88 -35.03 69.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.251 0.548 . . . . 0.0 110.578 178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.47 -40.77 87.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.759 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 109' ' ' GLU . 23.1 ttmt -67.76 -50.63 56.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.939 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.773 ' HG ' HD11 ' A' ' 89' ' ' LEU . 3.5 mm? -55.94 -33.75 65.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.728 -179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -55.39 -45.39 76.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 106' ' ' LYS . 12.3 pt-20 -77.96 -38.52 45.08 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.267 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -53.34 57.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' TYR . 90.0 t -66.42 -31.68 54.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.72 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.576 ' O ' HG12 ' A' ' 116' ' ' ILE . 17.4 ttt180 -64.97 -36.86 85.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -61.64 -34.2 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.399 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 82' ' ' LEU . 8.9 mp -69.24 -44.65 71.54 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 176.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.7 t -62.52 -45.94 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.367 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 112' ' ' ARG . 45.1 mm -58.88 -34.52 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.234 178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -79.26 -35.02 42.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.344 -176.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -66.79 -43.86 82.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.689 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.1 -32.59 54.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.96 177.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 116' ' ' ILE . 8.8 t-20 -63.15 -21.45 66.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.7 t -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.421 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.99 -2.76 55.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -112.78 73.19 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.896 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -79.17 28.65 0.23 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.388 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -75.2 75.82 2.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.045 0.45 . . . . 0.0 111.471 -174.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 51.7 t60 71.17 -12.24 0.61 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.303 -0.862 . . . . 0.0 113.212 168.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -62.09 -35.86 79.95 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 66.09 164.24 0.18 Allowed 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.107 0.479 . . . . 0.0 111.674 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.2 170.672 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.883 0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -79.97 -56.21 4.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.059 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 pt -102.98 158.51 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.614 ' HB2' ' HG3' ' A' ' 8' ' ' GLU . 13.9 m -125.28 73.87 1.34 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.008 0.432 . . . . 0.0 110.736 -178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 6' ' ' SER . 6.6 m 69.6 176.26 0.28 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.787 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.578 ' H ' HG22 ' A' ' 5' ' ' THR . 3.9 m -50.29 -30.63 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' A' ' 115' ' ' VAL . . . -57.39 -55.41 35.13 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -175.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.614 ' HG3' ' HB2' ' A' ' 4' ' ' SER . 8.0 mt-10 -76.41 -34.18 58.82 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.596 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.87 -48.6 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.633 0.254 . . . . 0.0 111.478 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HB3' ' O ' ' A' ' 29' ' ' LYS . 22.9 m-85 -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.537 0.208 . . . . 0.0 110.8 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 88.8 t80 -64.32 -41.29 96.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.363 . . . . 0.0 110.143 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -59.05 -45.34 91.01 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.948 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.33 -31.29 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.102 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.05 87.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 11' ' ' TYR . 6.6 mm-40 -60.29 -36.02 76.9 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.518 175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.84 -51.17 69.33 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.741 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.813 ' HE2' ' HE3' ' A' ' 29' ' ' LYS . 49.9 m-85 -66.91 -34.67 78.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.76 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 tp -60.01 -36.43 77.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.427 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -71.0 -16.71 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 20' ' ' LYS . 40.9 tptt -91.55 -10.19 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.166 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.92 7.39 56.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.13 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -105.79 115.28 29.97 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.474 -0.427 . . . . 0.0 110.334 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.73 -21.74 28.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 -178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -77.51 -48.48 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.44 -29.95 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.961 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.22 75.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.079 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 30' ' ' TYR . 49.7 t -57.25 -49.35 76.3 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -60.14 -33.78 72.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.058 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.813 ' HE3' ' HE2' ' A' ' 17' ' ' PHE . 70.3 mmtt -69.3 -56.05 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.406 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 27' ' ' CYS . 7.4 p90 -75.97 -12.31 60.12 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.882 -0.727 . . . . 0.0 111.583 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -67.59 -47.01 70.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 33.7 mttp -68.7 -27.92 66.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.102 178.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -60.31 -36.54 78.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.998 0.427 . . . . 0.0 110.386 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 38' ' ' ILE . . . -72.05 -49.06 39.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 32' ' ' LYS . 12.5 pt-20 -62.96 -39.58 95.08 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.037 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 18.3 mm-40 -62.84 -42.25 99.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.2 95.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.872 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 42' ' ' VAL . 42.8 mm -54.25 -44.39 64.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 120.982 0.42 . . . . 0.0 110.123 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 43' ' ' ILE . 26.8 ttpp -56.78 -46.46 81.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.851 176.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.33 -46.77 85.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.51 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.25 -42.01 90.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.569 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG13 ' HB2' ' A' ' 47' ' ' LEU . 99.0 t -63.28 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.888 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 39' ' ' LYS . 42.1 mm -63.84 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -70.3 -24.58 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.873 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -92.35 -7.22 48.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.785 0.326 . . . . 0.0 110.151 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.7 t30 53.23 48.37 22.27 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.641 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.633 ' HB2' HG13 ' A' ' 42' ' ' VAL . 91.6 mt -75.14 89.08 2.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.678 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -64.46 -28.14 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.994 -174.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.17 -50.91 66.28 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mm -67.27 -41.07 86.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.159 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.9 p -65.85 -33.49 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -23.56 66.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.17 -14.9 60.15 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.728 0.299 . . . . 0.0 110.77 178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.5 t -78.06 -14.18 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.59 -18.27 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.477 0.656 . . . . 0.0 110.386 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' C ' HD22 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -62.34 -55.1 31.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.56 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.787 ' HD2' ' HB3' ' A' ' 61' ' ' LYS . 87.0 mttt -105.93 -170.7 1.78 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.775 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.29 -6.66 59.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.523 174.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' TRP . 4.7 tmt_? -149.53 158.49 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.527 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 34.5 m95 -49.85 132.45 22.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.645 0.59 . . . . 0.0 111.586 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HB3' ' HD2' ' A' ' 57' ' ' LYS . 52.6 pttt -105.71 168.64 8.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.249 -175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -55.59 -39.39 70.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HA ' ' CE2' ' A' ' 66' ' ' PHE . 41.5 mt-10 -57.7 -40.79 80.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.793 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -67.72 -31.93 72.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 0.0 111.095 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.4 mt -66.95 -51.39 55.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.581 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.678 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 30.0 p90 -75.99 -26.5 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.836 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' GLU . 56.9 tttt -64.44 -51.22 64.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 109.856 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.04 91.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.029 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -59.26 -31.62 69.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.379 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -67.36 -51.57 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.384 0.611 . . . . 0.0 109.646 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.54 -34.25 67.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.992 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 79' ' ' ILE . 71.9 mt -70.83 1.41 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -174.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 77' ' ' THR . 36.6 ttp-105 -66.49 -24.99 66.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.7 t -61.14 -27.63 68.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.15 -52.99 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.72 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.634 ' HB3' HG12 ' A' ' 79' ' ' ILE . 29.7 t30 -151.13 132.26 14.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.741 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.526 ' HA ' ' HG3' ' A' ' 73' ' ' ARG . 14.8 t -71.32 -18.65 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.692 0.282 . . . . 0.0 111.406 -175.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 44.4 mt-10 -82.18 -11.93 58.42 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.634 HG12 ' HB3' ' A' ' 76' ' ' ASN . 34.2 mm -54.65 -53.75 56.83 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 79' ' ' ILE . 28.0 Cg_exo -61.53 -29.01 83.97 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.732 1.622 . . . . 0.0 112.099 -178.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.22 -44.86 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.542 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 55.9 mt -57.46 -47.44 81.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.952 -177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 66.7 t-105 -68.6 -39.05 81.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.779 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -64.91 -37.14 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.035 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m -55.04 -48.08 73.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.847 0.356 . . . . 0.0 110.788 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.92 74.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -58.84 -42.05 88.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.677 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 m -58.45 -44.37 89.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.079 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HG ' ' A' ' 107' ' ' LEU . 20.7 mt -64.26 -34.15 77.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.786 0.327 . . . . 0.0 110.766 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -66.16 -49.5 67.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.485 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.0 -49.47 73.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 -177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.24 -26.36 64.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.32 -177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -66.5 -13.27 60.43 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 113.114 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -78.24 -20.26 52.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.003 0.401 . . . . 0.0 110.611 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.07 -72.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.106 0.479 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -115.92 111.85 21.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.664 -174.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.21 66.8 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.712 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.3 p -155.05 85.32 1.09 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.317 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.443 HD22 HD22 ' A' ' 89' ' ' LEU . 87.2 mt -87.97 124.42 33.7 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.4 m-80 -68.63 143.95 54.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.104 0.478 . . . . 0.0 109.971 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.521 ' HG2' ' HE2' ' A' ' 105' ' ' LYS . 28.6 tt0 -67.46 -32.9 74.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.796 -174.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -60.25 -36.14 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.554 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.11 -36.7 55.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.299 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 100' ' ' ASN . 59.4 t -59.04 -31.79 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.665 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HE2' ' HG2' ' A' ' 101' ' ' GLU . 73.0 mmtt -54.89 -38.2 67.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -41.3 62.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.433 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.8 ' HG ' HD11 ' A' ' 89' ' ' LEU . 4.2 mm? -61.09 -34.43 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.931 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -55.19 -49.42 71.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.365 173.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -70.32 -44.12 68.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.699 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.53 -42.82 99.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.84 -36.81 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.153 177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 116' ' ' ILE . 57.7 ttp85 -60.06 -42.22 94.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.48 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -54.9 -43.59 73.37 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.204 0.526 . . . . 0.0 110.925 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 tp -71.49 -44.08 65.35 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.683 -176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.501 HG22 ' HB1' ' A' ' 7' ' ' ALA . 98.1 t -63.9 -46.11 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.234 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 112' ' ' ARG . 84.3 mt -55.07 -37.55 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.324 . . . . 0.0 110.786 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.97 -45.21 67.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.23 0.538 . . . . 0.0 110.212 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.31 73.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.003 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 115' ' ' VAL . 21.9 t -67.64 -32.68 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -63.29 -41.36 98.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 109.992 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.3 t -68.58 -24.68 64.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.36 -26.25 68.67 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.971 0.359 . . . . 0.0 111.971 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -92.34 8.49 38.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.749 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 65.0 60.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 71.45 54.13 0.22 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.725 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.5 -159.97 0.29 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.242 174.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -112.15 9.33 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.772 -168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -145.64 152.6 39.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.908 0.385 . . . . 0.0 111.382 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.031 174.597 . . . . . . . . 0 0 . 1 stop_ save_